Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP24A1 | Q07973 | 2/20 | 0.39 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.39 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.39 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | PSMD10 | O75832 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL30821470 | 0.97 | ALDH1A1 (0.40) | CYP24A1LPAR2LPAR3LPAR1CA12 | |
| SCHEMBL10731427 | 0.96 | ALDH1A1 (0.43) | CYP24A1LPAR2LPAR3LPAR1ALDH1A1 | |
| SCHEMBL15237138 | 0.95 | CYP24A1 (0.40) | CYP24A1CA12CA1CA9PSMD10 | |
| SCHEMBL7268342 | 0.95 | CYP24A1 (0.40) | CYP24A1CA12CA1CA9PSMD10 | |
| SCHEMBL13491291 | 0.93 | ADORA3 (0.43) | CYP24A1CA12CA1CA9PSMD10 | |
| SCHEMBL1914559 | 0.90 | MCHR1 (0.43) | CA12CA1CA9TSHR | |
| SCHEMBL1914562 | 0.90 | MCHR1 (0.43) | CA12CA1CA9TSHR | |
| SCHEMBL10730061 | 0.90 | MCHR1 (0.43) | CA12CA1CA9TSHR | |
| SCHEMBL10730052 | 0.90 | MCHR1 (0.43) | CA12CA1CA9TSHR | |
| SCHEMBL15912664 | 0.89 | CA12 (0.40) | CYP24A1CA12CA1CA9ALDH1A1 |
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-3864001-A1 | ROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF | BASF AS (NO) | 2021-08-18 | — | — | EP | disclosed |
| CN-113166024-A | Aromatic compounds and their medical use | 巴斯夫股份公司 | 2021-07-23 | — | — | CN | disclosed |