Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 11/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 11/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 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 | |
|---|---|---|---|---|
| SCHEMBL4329664 | 0.85 | CYP1A2 (0.54) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL4329713 | 0.83 | RAB9A (0.48) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL19199059 | 0.81 | NPC1 (0.64) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL4321601 | 0.81 | NPC1 (0.64) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL4322768 | 0.81 | MAP4K4 (0.46) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL4333333 | 0.79 | CYP2C19 (0.53) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL4397222 | 0.79 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL19198664 | 0.78 | NPC1 (0.64) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL4322408 | 0.78 | BRD4 (0.44) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL4331562 | 0.78 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009149135-A1 | BIS (HETERO ) ARYL SUBSTITUTED ISOXAZOLES FOR USE AS NEURONAL NICOTINIC RECEPTOR MODULATORS | ABBOTT LABORATORIES (US) | 2009-12-10 | — | — | WO | claimed |
| WO-2009149135-A1 | BIS (HETERO ) ARYL SUBSTITUTED ISOXAZOLES FOR USE AS NEURONAL NICOTINIC RECEPTOR MODULATORS | ABBOTT LABORATORIES (US) | 2009-12-10 | — | — | WO | disclosed |