Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CHKA | P35790 | 3/20 | 0.40 |
| ▸ | APP | P05067 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6828038 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL11009805 | 0.79 | CYP2A6 (0.45) | ALDH1A1TDP1CYP2A6CA1CA2 | |
| SCHEMBL436833 | 0.77 | CALM1 (0.42) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL4068305 | 0.76 | CALM1 (0.56) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| Ethoxycarbonyl Group SCHEMBL27845603 | 0.76 | CALM1 (0.39) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL9532705 | 0.76 | TAAR1 (0.52) | ALDH1A1TSHRCYP3A4CALM1CYP2A6 | |
| SCHEMBL4405018 | 0.75 | ALDH1A1 (0.70) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL11349144 | 0.75 | CA12 (0.31) | CA12CA1CA9CA4 | |
| SCHEMBL5544723 | 0.75 | CYP3A4 (0.39) | CYP3A4APP | |
| SCHEMBL6237288 | 0.75 | ESR1 (0.52) | ALDH1A1TDP1CALM1CA12CA1 |
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-0539372-A1 | THERAPEUTIC AGENTS | The Boots Company PLC (GB) | 1993-05-05 | — | — | EP | disclosed |