Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA7 | P43166 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL19434085 | 0.77 | THRB (0.41) | TSHRCA1CA2ALDH1A1POLB | |
| SCHEMBL13969442 | 0.73 | TSHR (0.42) | KDM4EKMT2AMEN1MAPTALOX15 | |
| SCHEMBL5552082 | 0.72 | TSHR (0.39) | KDM4EKMT2AMEN1MAPTALOX15 | |
| SCHEMBL27630535 | 0.72 | KMT2A (0.40) | KDM4EKMT2AMEN1MAPTALOX15 | |
| SCHEMBL5114658 | 0.71 | CA12 (0.43) | KDM4EKMT2AMEN1MAPTALOX15 | |
| SCHEMBL4467924 | 0.71 | ALDH1A1 (0.41) | KDM4EKMT2AMEN1MAPTALOX15 | |
| SCHEMBL47924 | 0.70 | CA12 (0.42) | KDM4EKMT2AMEN1MAPTALOX15 | |
| SCHEMBL1180315 | 0.70 | KDM4E (0.38) | KDM4EKMT2AMEN1MAPTALOX15 | |
| SCHEMBL16229717 | 0.69 | — | — | |
| SCHEMBL28381747 | 0.69 | TSHR (0.39) | KDM4EKMT2AMEN1MAPTALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116942663-A | Compounds for the treatment of HBV | 葛兰素史克知识产权开发有限公司 | 2023-10-27 | — | — | CN | disclosed |
| EP-1996588-A1 | NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS | Torrent Pharmaceuticals Ltd (IN) | 2008-12-03 | — | — | EP | disclosed |
| WO-2007100295-A1 | NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS | TORRENT PHARMACEUTICALS LTD (IN) | 2007-09-07 | — | — | WO | disclosed |