Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.30 |
| ▸ | HSD17B2 | P37059 | 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 | |
|---|---|---|---|---|
| SCHEMBL10048194 | 0.73 | KMT2A (0.34) | LIPECYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17340121 | 0.73 | KMT2A (0.34) | LIPECYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15215741 | 0.72 | ALDH1A1 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL25227083 | 0.66 | NPSR1 (0.33) | ALDH1A1 | |
| SCHEMBL14384381 | 0.65 | PAX8 (0.50) | LIPECYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL20037705 | 0.65 | TTK (0.39) | LIPEMEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL10325135 | 0.64 | NPSR1 (0.33) | ALDH1A1 | |
| SCHEMBL6177591 | 0.63 | TTK (0.35) | ALDH1A1NPC1RAB9APAX8KDM4E | |
| SCHEMBL27804098 | 0.63 | HSD17B1 (0.40) | LIPEALDH1A1HTTLMNAMAPT | |
| SCHEMBL19219152 | 0.62 | STK17B (0.38) | ALDH1A1PAX8 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012020742-A1 | NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | 塩野義製薬株式会社 (JP) | 2012-02-16 | — | — | WO | disclosed |