Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | MGLL | Q99685 | 2/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6450666 | 0.95 | SCN9A (0.40) | CYP19A1SCN9APTGS1PTGS2MGLL | |
| SCHEMBL2486662 | 0.91 | PGR (0.37) | MEN1KMT2ACYP19A1ALDH1A1KDM4E | |
| SCHEMBL13341347 | 0.87 | ALDH1A1 (0.35) | MEN1KMT2AALDH1A1KDM4ETDP1 | |
| SCHEMBL2488454 | 0.84 | TDP1 (0.55) | MEN1KMT2ACYP19A1MAPTALDH1A1 | |
| SCHEMBL13341348 | 0.84 | MPI (0.32) | TDP1AURKAAURKB | |
| SCHEMBL2486094 | 0.84 | AURKA (0.44) | MEN1KMT2ACYP19A1MAPTALDH1A1 | |
| SCHEMBL13341332 | 0.83 | SCN9A (0.39) | SCN9ATDP1 | |
| SCHEMBL2489388 | 0.83 | ALDH1A1 (0.37) | MAPTALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL10696532 | 0.83 | AURKA (0.43) | MEN1KMT2ACYP19A1MAPTALDH1A1 | |
| SCHEMBL2489093 | 0.81 | AURKA (0.32) | TDP1AURKAAURKB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7714010-B2 | Pyrrolobenzimidazolones and their use as anti-proliferative agents | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-05-11 | — | — | US | disclosed |
| US-7714010-B2 | Pyrrolobenzimidazolones and their use as anti-proliferative agents | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-05-11 | — | — | US | disclosed |
| EP-1598353-A1 | Pyrrolobenzimidazolones and their use as antiproliferative agents | Boehringer Ingelheim International GmbH (DE) | 2005-11-23 | — | — | EP | disclosed |