Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL16823465 | 1.00 | ALDH1A1 (0.40) | ALDH1A1POLBCYP2D6STAT3KDM4E | |
| SCHEMBL14994148 | 0.93 | CYP2D6 (0.40) | ALDH1A1POLBCYP2D6STAT3KDM4E | |
| SCHEMBL14994147 | 0.93 | CYP2D6 (0.40) | ALDH1A1POLBCYP2D6STAT3KDM4E | |
| SCHEMBL14995618 | 0.87 | STAT3 (0.39) | ALDH1A1POLBCYP2D6STAT3CYP1A2 | |
| SCHEMBL505551 | 0.87 | CYP2D6 (0.37) | ALDH1A1POLBCYP2D6STAT3KDM4E | |
| SCHEMBL26117855 | 0.83 | ALDH1A1 (0.46) | ALDH1A1KDM4EGAAMEN1KMT2A | |
| SCHEMBL2302585 | 0.83 | FFAR1 (0.45) | ALDH1A1POLBCYP2D6STAT3KDM4E | |
| SCHEMBL3129424 | 0.83 | FFAR1 (0.45) | ALDH1A1POLBCYP2D6STAT3KDM4E | |
| SCHEMBL3616703 | 0.83 | FFAR1 (0.45) | ALDH1A1POLBCYP2D6STAT3KDM4E | |
| SCHEMBL18173559 | 0.83 | CYP2D6 (0.48) | ALDH1A1POLBCYP2D6KDM4ECYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1924572-B1 | REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES | SMITHKLINE BEECHAM CORP (US) | 2009-12-30 | — | — | EP | disclosed |