Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1628180 | 0.99 | AKR1C3 (0.40) | AKR1C3PDE4BKDM4EHSD17B10KMT2A | |
| SCHEMBL14237122 | 0.92 | ALDH1A1 (0.44) | PDE4BHSD17B10KMT2APDE4DPKM | |
| SCHEMBL14237006 | 0.91 | AKR1C3 (0.38) | AKR1C3PDE4BKDM4EHSD17B10KMT2A | |
| Hydrochloric Acid SCHEMBL1627702 | 0.91 | ALDH1A1 (0.43) | PDE4BHSD17B10KMT2APDE4DPKM | |
| Hydrochloric Acid SCHEMBL14237004 | 0.90 | AKR1C3 (0.38) | AKR1C3PDE4BKDM4EHSD17B10KMT2A | |
| SCHEMBL14237023 | 0.90 | AKR1C3 (0.41) | AKR1C3KMT2ACA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL14237159 | 0.89 | AKR1C3 (0.41) | AKR1C3KMT2ACA1CA2CA9 | |
| SCHEMBL1625861 | 0.88 | AKR1C3 (0.43) | AKR1C3PDE4BKDM4EHSD17B10KMT2A | |
| Hydrochloric Acid SCHEMBL1627613 | 0.87 | ALK (0.41) | PDE4B | |
| SCHEMBL14236989 | 0.86 | MCOLN2 (0.41) | KMT2A |
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-1831195-B1 | 5-HT7 RECEPTOR ANTAGONISTS | ESTEVE LABOR DR (ES) | 2012-12-19 | — | — | EP | claimed |
| US-8822233-B2 | Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates | GIRI BRIJ PAL (US) | 2014-09-02 | — | — | US | disclosed |