Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 2/20 | 0.36 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.36 |
| ▸ | STS | P08842 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESRRG | P62508 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6987430 | 0.98 | EPHX1 (0.37) | EPHX1NPC1RAB9AKMT2ADHODH | |
| SCHEMBL6510867 | 0.82 | RAB9A (0.44) | EPHX1NPC1RAB9AKMT2ASLC6A2 | |
| SCHEMBL2442101 | 0.82 | RAB9A (0.44) | EPHX1NPC1RAB9AKMT2ADHODH | |
| SCHEMBL6192446 | 0.82 | EPHX1 (0.38) | EPHX1DHODHSLC6A3 | |
| SCHEMBL193457 | 0.81 | IDO1 (0.49) | EPHX1KMT2A | |
| SCHEMBL21368757 | 0.80 | NPC1 (0.41) | EPHX1NPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL1515769 | 0.79 | IDO1 (0.46) | EPHX1RAB9AKMT2A | |
| SCHEMBL9477373 | 0.78 | NPC1 (0.48) | EPHX1NPC1RAB9AKMT2ASLC6A3 | |
| SCHEMBL8386053 | 0.76 | NPC1 (0.38) | NPC1RAB9AALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL2016513 | 0.76 | ALDH1A1 (0.42) | NPC1RAB9ADHODHALDH1A1SLC6A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1333827-A2 | ESTROGEN RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2003-08-13 | — | — | EP | disclosed |
| EP-1328522-A2 | ESTROGEN RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2003-07-23 | — | — | EP | disclosed |
| WO-2002032377-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2002-04-25 | — | — | WO | disclosed |
| WO-2002032373-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2002-04-25 | — | — | WO | disclosed |