Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 8/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | QPCT | Q16769 | 2/20 | 0.41 |
| ▸ | FDPS | P14324 | 2/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | GGPS1 | O95749 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9202390 | 0.88 | KIF11 (0.53) | CYP11B1CYP11B2CYP19A1QPCTFDPS | |
| SCHEMBL9202987 | 0.86 | CYP11B1 (0.48) | CYP11B1CYP11B2CYP19A1CYP17A1 | |
| SCHEMBL9202252 | 0.86 | CYP17A1 (0.48) | CYP11B1CYP11B2CYP19A1QPCTKIF11 | |
| SCHEMBL9199981 | 0.86 | CYP11B1 (0.46) | CYP11B1CYP11B2CYP19A1QPCT | |
| SCHEMBL9205856 | 0.85 | CYP11B1 (0.52) | CYP11B1CYP11B2CYP19A1FDPSGGPS1 | |
| SCHEMBL9210780 | 0.82 | HTT (0.47) | CYP19A1 | |
| SCHEMBL11107776 | 0.82 | CYP11B1 (0.65) | CYP11B1CYP11B2CYP19A1QPCTCYP17A1 | |
| SCHEMBL11019246 | 0.82 | CYP11B1 (0.50) | CYP11B1CYP11B2CYP19A1QPCTFDPS | |
| SCHEMBL9668598 | 0.79 | CYP11B1 (0.47) | CYP11B1CYP11B2CYP19A1QPCTLMNA | |
| SCHEMBL11023652 | 0.79 | CYP11B1 (0.69) | CYP11B1CYP11B2CYP19A1QPCTFDPS |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0513149-B1 | PYRIDYLPHENYL NITROGEN HETEROCYCLE-SUBSTITUTED CARBINOLS AND DERIVATIVES THEREOF WITH ANTI-INFLAMMATORY ACTIVITY | DU PONT MERCK PHARMA (US) | 1995-12-13 | — | — | EP | claimed |
| EP-0513149-A1 | PYRIDYLPHENYL NITROGEN HETEROCYCLE-SUBSTITUTED CARBINOLS AND DERIVATIVES THEREOF WITH ANTI-INFLAMMATORY ACTIVITY. | DU PONT MERCK PHARMA (US) | 1992-11-19 | — | — | EP | claimed |
| US-5049570-A | Pyridylphenyl nitrogen heterocycle-substituted carbinols and derivatives thereof with anti-inflammatory activity | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-09-17 | — | — | US | claimed |
| WO-1991011445-A1 | PYRIDYLPHENYL NITROGEN HETEROCYCLE-SUBSTITUTED CARBINOLS AND DERIVATIVES THEREOF WITH ANTI-INFLAMMATORY ACTIVITY | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-08-08 | — | — | WO | claimed |
| EP-0513149-B1 | PYRIDYLPHENYL NITROGEN HETEROCYCLE-SUBSTITUTED CARBINOLS AND DERIVATIVES THEREOF WITH ANTI-INFLAMMATORY ACTIVITY | DU PONT MERCK PHARMA (US) | 1995-12-13 | — | — | EP | disclosed |
| US-5049570-A | Pyridylphenyl nitrogen heterocycle-substituted carbinols and derivatives thereof with anti-inflammatory activity | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-09-17 | — | — | US | disclosed |