Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CYP26A1 | O43174 | 5/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9199981 | 0.83 | CYP11B1 (0.46) | MAPTALDH1A1TSHRKDM4ECYP19A1 | |
| SCHEMBL9205541 | 0.82 | CYP11B1 (0.47) | CYP19A1 | |
| SCHEMBL9202390 | 0.80 | KIF11 (0.53) | TBXAS1CYP19A1 | |
| SCHEMBL9202987 | 0.79 | CYP11B1 (0.48) | TSHRKDM4ECYP19A1 | |
| SCHEMBL9202252 | 0.79 | CYP17A1 (0.48) | CYP19A1 | |
| SCHEMBL9205856 | 0.78 | CYP11B1 (0.52) | CYP19A1 | |
| SCHEMBL10858842 | 0.77 | HTT (0.47) | HTTCYP26A1GAATBXAS1MAPT | |
| SCHEMBL13019478 | 0.75 | HDAC1 (0.58) | HTTALDH1A1TSHRKDM4E | |
| SCHEMBL741537 | 0.75 | HDAC1 (0.58) | HTTALDH1A1TSHRKDM4E | |
| SCHEMBL10863031 | 0.75 | POLB (0.48) | HTTCYP26A1GAATBXAS1NPC1 |
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-0513149-B1 | PYRIDYLPHENYL NITROGEN HETEROCYCLE-SUBSTITUTED CARBINOLS AND DERIVATIVES THEREOF WITH ANTI-INFLAMMATORY ACTIVITY | DU PONT MERCK PHARMA (US) | 1995-12-13 | — | — | EP | disclosed |
| 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 | disclosed |