Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1626684 | 0.99 | AKR1C3 (0.40) | AKR1C3HTR6KDM4ETSHRMAPK1 | |
| SCHEMBL1625861 | 0.90 | AKR1C3 (0.43) | AKR1C3KDM4ETSHRKMT2AALDH1A1 | |
| SCHEMBL14236977 | 0.89 | ALDH1A1 (0.47) | KDM4EKMT2AALDH1A1HPGDHSD17B10 | |
| SCHEMBL14237006 | 0.89 | AKR1C3 (0.38) | AKR1C3HTR6KDM4ETSHRMAPK1 | |
| Hydrochloric Acid SCHEMBL1628133 | 0.89 | ALDH1A1 (0.46) | KDM4EKMT2AALDH1A1HPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL14237004 | 0.88 | AKR1C3 (0.38) | AKR1C3HTR6KDM4ETSHRMAPK1 | |
| SCHEMBL14236984 | 0.87 | HTR6 (0.42) | HTR6KDM4ETSHRKMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL1627341 | 0.86 | HTR6 (0.41) | HTR6KDM4ETSHRKMT2AALDH1A1 | |
| SCHEMBL14237024 | 0.85 | PKM (0.53) | KMT2AALDH1A1PKMCA7ABCB1 | |
| SCHEMBL14237007 | 0.85 | PDE4B (0.43) | HTR6KDM4ETSHRKMT2AALDH1A1 |
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-1831195-B1 | 5-HT7 RECEPTOR ANTAGONISTS | ESTEVE LABOR DR (ES) | 2012-12-19 | — | — | EP | claimed |