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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.30 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.35 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2298063 | 0.98 | PBRM1 (0.41) | PBRM1CASP1CASP7HSD17B10CSNK2A2 | |
| SCHEMBL9248385 | 0.78 | ACHE (0.46) | PBRM1HSD17B10CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL2298637 | 0.74 | CASP1 (0.37) | PBRM1CASP1CASP7HSD17B10LMNA | |
| SCHEMBL11927529 | 0.74 | TYMS (0.42) | PBRM1MAPTMEN1HPGDKMT2A | |
| SCHEMBL3058573 | 0.74 | CASP1 (0.37) | PBRM1CASP1CASP7HSD17B10LMNA | |
| SCHEMBL14346731 | 0.74 | HSD17B10 (0.37) | PBRM1CASP1CASP7HSD17B10LMNA | |
| SCHEMBL6964106 | 0.74 | PBRM1 (0.41) | PBRM1HSD17B10LMNAMAPTMEN1 | |
| SCHEMBL14430381 | 0.74 | PBRM1 (0.41) | PBRM1MAPTMEN1HPGDKMT2A | |
| SCHEMBL17464273 | 0.74 | CSNK2A2 (0.39) | PBRM1CASP1CASP7HSD17B10CSNK2A2 | |
| SCHEMBL12087017 | 0.73 | PARP1 (0.41) | KDM4ECSNK1A1ACHE |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8895591-B2 | Tricyclic compound and pharmaceutical use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-11-25 | — | — | US | disclosed |
| EP-2029561-B1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2014-08-13 | — | — | EP | disclosed |
| US-20140011849-A1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-01-09 | — | — | US | disclosed |
| US-8552037-B2 | Tricyclic compound and pharmaceutical use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-10-08 | — | — | US | disclosed |
| US-20130079374-A1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-03-28 | — | — | US | disclosed |
| US-8349879-B2 | Tricyclic compound and pharmaceutical use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-01-08 | — | — | US | disclosed |
| US-8318784-B2 | — | — | 2012-11-27 | — | — | US | disclosed |
| US-8236837-B2 | Tricyclic compound and pharmaceutical use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-07 | — | — | US | disclosed |
| US-8030337-B2 | Tricyclic compound and pharmaceutical use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-10-04 | — | — | US | disclosed |
| US-20110196003-A1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-08-11 | — | — | US | disclosed |
| US-20110190361-A1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-08-04 | — | — | US | disclosed |
| US-20090182023-A1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-07-16 | — | — | US | disclosed |
| EP-2029561-A1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-03-04 | — | — | EP | disclosed |
| WO-2007148808-A1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-12-27 | — | — | 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 (5 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-20110190361-A1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | MTNR1A, MTNR1B, CYP11B2 | ACHE 1431/4885PBRM1 2798/4885CASP1 2152/4885 |
| US-20110196003-A1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | MTNR1A, MTNR1B, CYP11B2 | ACHE 1431/4885PBRM1 2798/4885CASP1 2152/4885 |
| US-20090182023-A1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | MTNR1A, MTNR1B, CYP11B2 | ACHE 1431/4885PBRM1 2798/4885CASP1 2152/4885 |
| US-20140011849-A1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | MTNR1A, MTNR1B, CYP11B2 | ACHE 1431/4885PBRM1 2798/4885CASP1 2152/4885 |
| US-20130079374-A1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | MTNR1A, MTNR1B, CYP11B2 | ACHE 1431/4885PBRM1 2798/4885CASP1 2152/4885 |
“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.