Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14906969 | 0.85 | ALDH1A1 (0.56) | TSHRCYP3A4ALDH1A1SMN1; SMN2ALOX15 | |
| SCHEMBL6279612 | 0.84 | TSHR (0.46) | TSHRCYP3A4ALDH1A1SMN1; SMN2ALOX15 | |
| SCHEMBL358933 | 0.79 | ALDH1A1 (0.54) | TSHRCYP3A4ALDH1A1SMN1; SMN2ALOX15 | |
| SCHEMBL434492 | 0.79 | AHR (0.57) | TSHRCYP3A4ALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL30839712 | 0.78 | ALDH1A1 (0.65) | TSHRCYP3A4ALDH1A1SMN1; SMN2ALOX15 | |
| SCHEMBL27185985 | 0.78 | ALDH1A1 (0.65) | TSHRCYP3A4ALDH1A1SMN1; SMN2ALOX15 | |
| SCHEMBL30839752 | 0.78 | ALDH1A1 (0.65) | TSHRCYP3A4ALDH1A1SMN1; SMN2ALOX15 | |
| SCHEMBL28297213 | 0.77 | CYP3A4 (0.39) | TSHRCYP3A4ALDH1A1SMN1; SMN2ALOX15 | |
| SCHEMBL12505481 | 0.76 | SMN1; SMN2 (0.52) | TSHRCYP3A4ALDH1A1SMN1; SMN2ALOX15 | |
| SCHEMBL4148009 | 0.76 | SMN1; SMN2 (0.46) | TSHRCYP3A4ALDH1A1SMN1; SMN2ALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2897947-A1 | ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS | Bristol-Myers Squibb Company (US) | 2015-07-29 | — | — | EP | disclosed |
| WO-2014047374-A1 | ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-03-27 | — | — | WO | disclosed |