Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.70 |
| ▸ | CA1 | P00915 | 5/20 | 0.70 |
| ▸ | CA2 | P00918 | 5/20 | 0.70 |
| ▸ | CA7 | P43166 | 5/20 | 0.70 |
| ▸ | CA9 | Q16790 | 5/20 | 0.70 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.70 |
| ▸ | ESR1 | P03372 | 2/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MIF | P14174 | 1/20 | 0.51 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22833376 | 0.86 | CA12 (0.70) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17022287 | 0.84 | ALDH1A1 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30294343 | 0.84 | TSHR (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1814266 | 0.84 | TSHR (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10449048 | 0.84 | CA12 (0.77) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4882699 | 0.83 | HPGD (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL277473 | 0.83 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL550228 | 0.82 | CA12 (0.74) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29457603 | 0.82 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| SCHEMBL39259 | 0.82 | CA12 (1.00) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9382188-B2 | Aromatic ring compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-07-05 | — | — | US | disclosed |
| EP-2816023-A1 | AROMATIC RING COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2014-12-24 | — | — | EP | disclosed |
| WO-2007058504-A1 | NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | LG LIFE SCIENCES, LTD. (KR) | 2007-05-24 | — | — | WO | disclosed |