Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | GSK3B | P49841 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680469 | 0.81 | NPC1 (0.42) | ALDH1A1HPGDKDM4EGSK3BGAA | |
| SCHEMBL13680514 | 0.77 | TRPV4 (0.43) | ALDH1A1HPGDKDM4EGSK3BGAA | |
| SCHEMBL13680715 | 0.76 | TDP1 (0.42) | ALDH1A1HPGDKDM4EGSK3BGAA | |
| SCHEMBL13680505 | 0.75 | APP (0.49) | ALDH1A1HPGDKDM4EGSK3BGAA | |
| SCHEMBL13680457 | 0.75 | MAPT (0.49) | CYP2A6ALDH1A1HPGDGSK3BNPC1 | |
| SCHEMBL23197679 | 0.75 | TDP1 (0.56) | ALDH1A1HPGDKDM4EGSK3BGAA | |
| SCHEMBL5539598 | 0.74 | GSK3B (0.57) | ALDH1A1HPGDKDM4EGSK3BGAA | |
| SCHEMBL13681286 | 0.74 | ALDH1A1 (0.41) | ALDH1A1HPGDKDM4EGSK3BGAA | |
| SCHEMBL13680516 | 0.74 | CYP1A2 (0.39) | CYP2A6CYP3A4CYP2C19ALDH1A1HPGD | |
| SCHEMBL13680718 | 0.73 | ALDH1A1 (0.39) | ALDH1A1HPGDKDM4EGSK3BGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |