Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.44 |
| ▸ | ABAT | P80404 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.40 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27717499 | 0.77 | ALDH1A1 (0.58) | ALDH1A1CYP2A6ALDH5A1ABATEGFR | |
| SCHEMBL97268 | 0.75 | ALDH1A1 (0.62) | ALDH1A1CYP2A6ALDH5A1ABATKDM4E | |
| SCHEMBL23879907 | 0.75 | ALDH1A1 (0.50) | ALDH1A1RAB9ATDP1 | |
| SCHEMBL47357 | 0.73 | CYP2A6 (0.54) | ALDH1A1CYP2A6ALDH5A1ABATEGFR | |
| SCHEMBL2275985 | 0.73 | TSHR (0.57) | ALDH1A1TYRHSD17B10GLAPOLB | |
| Methyl Alcohol SCHEMBL27762076 | 0.72 | CYP2A6 (0.67) | ALDH1A1CYP2A6ALDH5A1ABATEGFR | |
| SCHEMBL5828005 | 0.72 | CES1 (0.48) | ALDH1A1KDM4EHSD17B10POLBTDP1 | |
| SCHEMBL23637785 | 0.71 | ALDH1A1 (0.64) | ALDH1A1CYP2A6ALDH5A1ABATEGFR | |
| SCHEMBL13970534 | 0.70 | ALDH1A1 (0.50) | ALDH1A1CYP2A6ALDH5A1ABATEGFR | |
| SCHEMBL10397390 | 0.70 | HSD17B1 (0.59) | ALDH1A1CYP2A6ALDH5A1ABATPARP10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0912567-A1 | CARBOLINE DERIVATIVES | ICOS CORPORATION (US) | 1999-05-06 | — | — | EP | disclosed |
| WO-1997043287-A1 | CARBOLINE DERIVATIVES | ICOS CORPORATION (US) | 1997-11-20 | — | — | WO | disclosed |