Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4784801 | 0.78 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CYP2C9HPGDCYP1A2 | |
| SCHEMBL4825042 | 0.69 | GAA (0.56) | ALDH1A1CYP3A4CYP2C9HPGDCYP1A2 | |
| SCHEMBL20746423 | 0.69 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9HPGDCYP1A2 | |
| SCHEMBL1479266 | 0.69 | CYP2C9 (0.55) | ALDH1A1CYP3A4CYP2C9HPGDCYP1A2 | |
| SCHEMBL31056512 | 0.68 | APOBEC3A (0.52) | ALDH1A1CYP3A4CYP2C9HPGDCYP1A2 | |
| SCHEMBL24473869 | 0.66 | ALDH1A1 (0.56) | ALDH1A1CYP3A4CYP2C9HPGDCYP1A2 | |
| SCHEMBL7934713 | 0.66 | GAA (0.58) | ALDH1A1CYP3A4CYP2C9HPGDCYP1A2 | |
| SCHEMBL7931306 | 0.66 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C9HPGDCYP1A2 | |
| SCHEMBL28875145 | 0.66 | HSD17B10 (0.41) | ALDH1A1CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL10809139 | 0.66 | KDM4E (0.46) | ALDH1A1L3MBTL1HSD17B10MEN1KMT2A |
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-2008085119-A1 | NEW PYRIDINE ANALOGUES VIII 518 | ASTRAZENECA AB (SE) | 2008-07-17 | — | — | WO | disclosed |