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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | DAO | P14920 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28596017 | 0.98 | TAAR1 (0.63) | TAAR1GAAHTTBACE1KDM4E | |
| Hydrochloric Acid SCHEMBL14719130 | 0.95 | TAAR1 (0.61) | TAAR1GAAHTTBACE1KDM4E | |
| Bromide SCHEMBL580313 | 0.83 | TAAR1 (0.43) | TAAR1GAAHTTBACE1KDM4E | |
| Bromide SCHEMBL11029879 | 0.83 | TAAR1 (0.50) | TAAR1GAAHTTCYP2A13CYP1A2 | |
| SCHEMBL27977720 | 0.80 | TAAR1 (0.52) | TAAR1GAAHTTCYP2A13CYP1A2 | |
| SCHEMBL30776827 | 0.79 | TAAR1 (0.63) | TAAR1GAAHTTBACE1KDM4E | |
| SCHEMBL601569 | 0.79 | TAAR1 (0.63) | TAAR1GAAHTTBACE1KDM4E | |
| Hydrochloric Acid SCHEMBL1018673 | 0.78 | TAAR1 (0.50) | TAAR1GAAHTTCYP2A13CYP1A2 | |
| SCHEMBL24686248 | 0.77 | TAAR1 (0.61) | TAAR1GAAHTTBACE1KDM4E | |
| SCHEMBL697704 | 0.77 | TAAR1 (0.67) | TAAR1GAAHTTBACE1KDM4E |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4008328-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | AbbVie Inc. (US) | 2022-06-08 | — | — | EP | disclosed |
| US-20210179556-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | ABBVIE INC. | 2021-06-17 | — | — | US | disclosed |
| US-20190284135-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | ABBVIE INC. | 2019-09-19 | — | — | US | disclosed |
| EP-3483167-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | AbbVie Inc. (US) | 2019-05-15 | — | — | EP | disclosed |
| EP-3013337-B1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | ABBVIE INC (US) | 2018-10-31 | — | — | EP | disclosed |
| US-20170174624-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | ABBVIE INC. (US) | 2017-06-22 | — | — | US | disclosed |
| US-9567339-B2 | Primary carboxamides as BTK inhibitors | ABBVIE INC. (US) | 2017-02-14 | — | — | US | disclosed |
| EP-3013337-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | Abbvie Inc. (US) | 2016-05-04 | — | — | EP | disclosed |
| US-20150005279-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | ABBVIE INC. (US) | 2015-01-01 | — | — | US | disclosed |
| WO-2014210255-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | ABBVIE INC. (US) | 2014-12-31 | — | — | WO | disclosed |
| US-8859546-B2 | Picolinamide inhibitors of kinases | ABBVIE INC. (US) | 2014-10-14 | — | — | US | disclosed |
| US-20140171429-A1 | BICYCLIC INHIBITORS OF ALK | ABBVIE INC. (US) | 2014-06-19 | — | — | US | disclosed |
| US-20140155389-A1 | BICYCLIC INHIBITORS OF ALK | ABBVIE INC. (US) | 2014-06-05 | — | — | US | disclosed |
| EP-2665724-A1 | BICYCLIC INHIBITORS OF ALK | AbbVie Inc. (US) | 2013-11-27 | — | — | EP | disclosed |
| EP-2665725-A1 | BICYCLIC INHIBITORS OF ALK | AbbVie Inc. (US) | 2013-11-27 | — | — | EP | disclosed |
| EP-2665711-A1 | PICOLINAMIDE INHIBITORS OF KINASES | Abbvie Inc. (US) | 2013-11-27 | — | — | EP | disclosed |
| US-20120190681-A1 | PICOLINAMIDE INHIBITORS OF KINASES | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | US | disclosed |
| WO-2012100135-A1 | PICOLINAMIDE INHIBITORS OF KINASES | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | WO | disclosed |
| WO-2012097682-A1 | BICYCLIC INHIBITORS OF ALK | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | WO | disclosed |
| WO-2012097683-A1 | BICYCLIC INHIBITORS OF ALK | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | WO | 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 (7 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-20120190681-A1 | PICOLINAMIDE INHIBITORS OF KINASES | ALK, PKN2, ERBB2 | TAAR1 1281/4885GAA 2009/4885HTT 3410/4885 |
| US-20210179556-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | BTK, SYK, MYD88 | TAAR1 2905/4885GAA 3106/4885HTT 4631/4885 |
| US-20150005279-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | BTK, SYK, MYD88 | TAAR1 2905/4885GAA 3106/4885HTT 4631/4885 |
| US-20140171429-A1 | BICYCLIC INHIBITORS OF ALK | ALK, ACVR1, ACVR1B | TAAR1 836/4885GAA 916/4885HTT 4065/4885 |
| US-20190284135-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | BTK, SYK, MYD88 | TAAR1 2905/4885GAA 3106/4885HTT 4631/4885 |
| US-20140155389-A1 | BICYCLIC INHIBITORS OF ALK | ALK, ABL1, BOD1L1 | TAAR1 1097/4885GAA 518/4885HTT 3769/4885 |
| US-20170174624-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | BTK, SYK, MYD88 | TAAR1 2905/4885GAA 3106/4885HTT 4631/4885 |
“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.