Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.53 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.53 |
| ▸ | KDR | P35968 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 8/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.39 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12673359 | 0.92 | AURKA (0.52) | AURKAAURKBKDRPARP1DGAT1 | |
| SCHEMBL12673106 | 0.90 | AURKA (0.50) | AURKAAURKBKDRPARP1DGAT1 | |
| SCHEMBL1898119 | 0.89 | LMNA (0.53) | AURKAAURKBKDRPARP1DGAT1 | |
| Hydrochloric Acid SCHEMBL1894282 | 0.89 | AURKA (0.49) | AURKAAURKBKDRPARP1DGAT1 | |
| SCHEMBL1891040 | 0.89 | AURKA (0.48) | AURKAAURKBKDRPARP1DGAT1 | |
| SCHEMBL1892562 | 0.81 | NPC1 (0.49) | PARP1KDM4ECYP1A2RAB9ANPC1 | |
| SCHEMBL12673367 | 0.80 | DHODH (0.60) | PARP1LMNACYP1A2RAB9ANPC1 | |
| SCHEMBL12673089 | 0.80 | CYP1A2 (0.57) | PARP1LMNACYP1A2RAB9ANPC1 | |
| SCHEMBL12662045 | 0.80 | KDM4E (0.45) | PARP1KDM4ELMNACYP1A2RAB9A | |
| SCHEMBL12673090 | 0.79 | LMNA (0.51) | AURKAAURKBKDRPARP1L3MBTL1 |
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-2315763-A1 | BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS | Sirtris Pharmaceuticals, Inc. (US) | 2011-05-04 | — | — | EP | disclosed |
| WO-2010003048-A1 | BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2010-01-07 | — | — | WO | disclosed |