Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.30 |
| ▸ | HTR3B | O95264 | 1/20 | 0.30 |
| ▸ | HTR3A | P46098 | 1/20 | 0.30 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.30 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25321212 | 0.87 | KCNH2 (0.44) | CYP1A2CYP3A4CYP2D6KCNH2LMNA | |
| SCHEMBL4470267 | 0.81 | MEN1 (0.39) | CYP1A2CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3304454 | 0.79 | HTR7 (0.38) | CYP1A2CYP3A4CYP2D6KCNH2LMNA | |
| SCHEMBL17247586 | 0.79 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2D6KCNH2LMNA | |
| SCHEMBL20897575 | 0.79 | CYP3A4 (0.38) | CYP1A2CYP3A4CYP2D6KCNH2 | |
| SCHEMBL15885200 | 0.78 | KDM1A (0.39) | CYP1A2CYP3A4CYP2D6LMNA | |
| SCHEMBL22982724 | 0.77 | MBOAT4 (0.36) | CYP1A2CYP3A4CYP2D6KCNH2CA1 | |
| SCHEMBL12137368 | 0.76 | MEN1 (0.46) | CYP1A2CYP3A4CYP2D6KCNH2LMNA | |
| SCHEMBL19463634 | 0.76 | ADAMTS4 (0.44) | CYP1A2CYP3A4CYP2D6LMNA | |
| SCHEMBL31731896 | 0.76 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2D6KCNH2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011116176-A1 | 3-SUBSTITUED IMIDAZO (4, 5-B) PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS INC. (US) | 2011-09-22 | — | — | WO | disclosed |
| WO-2010101949-A1 | 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2010-09-10 | — | — | WO | disclosed |
| WO-2010088574-A1 | AZABENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2010-08-05 | — | — | WO | disclosed |
| WO-2010037129-A1 | QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS INC. (US) | 2010-04-01 | — | — | WO | disclosed |
| WO-2010019606-A1 | BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2010-02-18 | — | — | WO | disclosed |
| WO-2010003048-A1 | BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2010-01-07 | — | — | WO | disclosed |