Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL7471821 | 0.83 | CYP1A2 (0.45) | CYP1A2ALOX5CYP3A4ESR1ESR2 | |
| SCHEMBL9125921 | 0.82 | TYR (0.54) | CYP1A2HCAR2ALOX5CYP3A4ESR1 | |
| SCHEMBL5505572 | 0.79 | STAT3 (0.41) | CYP1A2HCAR2ALOX5HSD17B10GRIN2D | |
| SCHEMBL19012422 | 0.75 | CA2 (0.60) | CYP1A2HCAR2ALOX5CYP3A4ESR1 | |
| SCHEMBL5500720 | 0.75 | STAT3 (0.40) | CYP1A2ALOX5CYP3A4ESR1ESR2 | |
| SCHEMBL2921175 | 0.74 | CYP1A2 (0.52) | CYP1A2ALOX5CYP3A4ESR1ESR2 | |
| SCHEMBL12221232 | 0.74 | ESR1 (0.52) | CYP1A2HCAR2ALOX5CYP3A4ESR1 | |
| SCHEMBL17194110 | 0.73 | GRIA2 (0.54) | HCAR2ALOX15HIF1AHSD17B10TDP1 | |
| SCHEMBL16704739 | 0.73 | GRIA2 (0.54) | HCAR2ALOX15HIF1AHSD17B10TDP1 | |
| SCHEMBL14151517 | 0.73 | CYP1A2 (0.46) | CYP1A2HCAR2ALOX5CYP3A4ESR1 |
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-1222174-A1 | IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE | Takeda Chemical Industries, Ltd. (JP) | 2002-07-17 | — | — | EP | disclosed |
| WO-2001030762-A1 | IMIDAZOL-4-YLMETHANOLS USE AS INHIBITORS OF STEROID C17-20 LYASE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-03 | — | — | WO | disclosed |