Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA7 | P43166 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | GUSB | P08236 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11107666 | 0.85 | ALDH1A1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11110542 | 0.76 | HPGD (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11106663 | 0.71 | ESR1 (0.48) | PTGS2ALDH1A1GFER | |
| SCHEMBL11105988 | 0.71 | KDM4E (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11115382 | 0.69 | ALDH1A1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11110834 | 0.69 | ALDH1A1 (0.41) | CA1CA2ALOX5ALDH1A1EGFR | |
| SCHEMBL9703351 | 0.68 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11114322 | 0.67 | CA12 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11115996 | 0.67 | EGFR (0.43) | ALDH1A1TYREGFRLCK | |
| SCHEMBL11103053 | 0.65 | CA2 (0.38) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4454158-A | Allyl amine MAO inhibitors | MERRELL TORAUDE ET COMPAGNIE (FR) | 1984-06-12 | — | — | US | disclosed |