Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL31463495 | 0.97 | — | — | |
| SCHEMBL170136 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7667954 | 0.95 | TSHR (0.45) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL1314594 | 0.77 | TRPA1 (0.42) | TSHRACHEALDH1A1CA1CA2 | |
| Bromide SCHEMBL4662619 | 0.76 | TSHR (0.47) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL464794 | 0.75 | TSHR (0.53) | TSHRACHEALDH1A1CA1CA2 | |
| Bromide SCHEMBL165159 | 0.74 | TSHR (0.45) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL27638879 | 0.74 | TSHR (0.71) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL1314056 | 0.70 | — | — | |
| SCHEMBL959600 | 0.70 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11407721-B2 | CIS-morpholinone and other compounds as MDM2 inhibitors for the treatment of cancer | AMGEN INC. (US) | 2022-08-09 | — | — | US | disclosed |
| CN-107982266-B | Carbamate compounds and methods of making and using the same | H.隆德贝克有限公司 | 2021-07-30 | — | — | CN | disclosed |
| US-20180354918-A1 | CIS-MORPHOLINONE AND OTHER COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER | AMGEN INC. (US) | 2018-12-13 | — | — | US | disclosed |
| EP-2958902-B1 | CIS-MORPHOLINONE AND OTHER COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER | AMGEN INC (US) | 2017-11-15 | — | — | EP | disclosed |
| EP-2855483-B1 | PYRROLOPYRROLIDINONE COMPOUNDS | NOVARTIS AG (CH) | 2017-10-25 | — | — | EP | disclosed |
| US-9663537-B2 | Chemokine receptor antagonists and methods of use | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-05-30 | — | — | US | disclosed |
| CN-104080787-B | Pyrazolo pyrrolidine compound | 诺华股份有限公司 | 2016-09-14 | — | — | CN | disclosed |
| US-9365576-B2 | Pyrrolopyrrolidinone compounds | NOVARTIS AG (CH) | 2016-06-14 | — | — | US | disclosed |
| US-20160031908-A1 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2016-02-04 | — | — | US | disclosed |
| EP-2785717-B1 | PYRAZOLOPYRROLIDINE COMPOUNDS | NOVARTIS AG (CH) | 2016-01-13 | — | — | EP | disclosed |
| EP-1692111-A2 | QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE | Wyeth, A Corporation of the State of Delaware (US) | 2006-08-23 | — | — | EP | disclosed |
| EP-1688418-A2 | Chemokine receptor antagonists and methods of use thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2006-08-09 | — | — | EP | disclosed |
| WO-2006014942-A1 | ARYLOXYALKYLAMINE NK-1/SSRI INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-02-09 | — | — | WO | disclosed |
| US-20060020019-A1 | Aryloxyalkylamine NK-1/SSRI inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2006-01-26 | — | — | US | disclosed |
| WO-2005058834-A2 | QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE | WYETH (US) | 2005-06-30 | — | — | WO | disclosed |
| US-20050131014-A1 | Quinolines useful in treating cardiovascular disease | WYETH (US) | 2005-06-16 | — | — | US | disclosed |
| US-20050070549-A1 | Chemokine receptor antagonists and methods of use thereof | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2005-03-31 | — | — | US | disclosed |
| EP-1448566-A2 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003045942-A2 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2003-06-05 | — | — | WO | disclosed |
| US-3965180-A | CNS DEPRESSANT | THE UPJOHN COMPANY (US) | 1976-06-22 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060020019-A1 | Aryloxyalkylamine NK-1/SSRI inhibitors | TPH1, SLC6A4, HTR1A | ACHE 1559/4885TSHR 1245/4885ALDH1A1 690/4885 |
| US-20180354918-A1 | CIS-MORPHOLINONE AND OTHER COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER | MDM2, TP53, MDM4 | ACHE 4126/4885TSHR 4616/4885ALDH1A1 1381/4885 |
| US-11407721-B2 | CIS-morpholinone and other compounds as MDM2 inhibitors for the treatment of cancer | MDM2, TP53, MDM4 | ACHE 4126/4885TSHR 4616/4885ALDH1A1 1381/4885 |
| US-20160031908-A1 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF | ACKR3, CCR2, CXCR2 | ACHE 3054/4885TSHR 972/4885ALDH1A1 2146/4885 |
| US-20050070549-A1 | Chemokine receptor antagonists and methods of use thereof | ACKR3, CXCR2, CCL11 | ACHE 3283/4885TSHR 1180/4885ALDH1A1 1086/4885 |
| US-20050131014-A1 | Quinolines useful in treating cardiovascular disease | NR1H2, NR1H3, SREBF1 | ACHE 3322/4885TSHR 2030/4885ALDH1A1 1202/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.