Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 3/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13540057 | 0.82 | SMN1; SMN2 (0.59) | NPC1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9455307 | 0.78 | CHAT (0.59) | NPC1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9455309 | 0.78 | CHAT (0.59) | NPC1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9745966 | 0.70 | ALDH1A1 (0.53) | NPC1CYP2C9KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL9455214 | 0.70 | ALDH1A1 (0.45) | NPC1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9455221 | 0.70 | ALDH1A1 (0.45) | NPC1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9455036 | 0.69 | CHRNA7 (0.43) | NPC1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9455029 | 0.69 | CHRNA7 (0.43) | NPC1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9000433 | 0.69 | CCNC (0.36) | CYP3A4CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL14444245 | 0.68 | CYP1A2 (0.54) | NPC1CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010007425-A2 | MEDICAL IMPLANT | AGT SCIENCES LTD (GB) | 2010-01-21 | — | — | WO | disclosed |
| WO-2008102144-A2 | AQUEOUS FORMULATIONS | AGT SCIENCES LIMITED (GB) | 2008-08-28 | — | — | WO | disclosed |
| WO-2007132244-A2 | DELIVERY MEANS | AGT SCIENCES LIMITED (GB) | 2007-11-22 | — | — | WO | disclosed |