Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTR6 | P50406 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | PARL | Q9H300 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL1616337 | 0.69 | ALDH1A1 (0.42) | CYP2C9CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL28189646 | 0.65 | HTR6 (0.50) | CYP2C9CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL752816 | 0.65 | CA1 (0.65) | CYP2C9CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL4614396 | 0.64 | PKM (0.56) | CYP2C9CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL4252110 | 0.63 | ALDH1A1 (0.47) | CYP2C9CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL6983922 | 0.62 | GAA (0.44) | CYP2C9CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL773236 | 0.62 | CYP2C9 (0.50) | CYP2C9CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL368482 | 0.60 | PKM (0.44) | CYP2C9CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL735657 | 0.60 | POLB (0.80) | CYP2C9CYP2D6ALDH1A1PKMLMNA | |
| SCHEMBL7122592 | 0.60 | POLB (0.80) | CYP2C9CYP2D6ALDH1A1PKMLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-1466572-A | Pyrrole derivatives | ס����ҩ��ʽ���� | 2004-01-07 | — | — | CN | disclosed |
| EP-1310485-A1 | PYRROLE DERIVATIVES | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 2003-05-14 | — | — | EP | disclosed |