Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | PGR | P06401 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8382754 | 1.00 | KDM1A (0.35) | KDM1AP2RY14CYP17A1CYP11B2NPC1 | |
| SCHEMBL8382752 | 1.00 | KDM1A (0.35) | KDM1AP2RY14CYP17A1CYP11B2NPC1 | |
| SCHEMBL19850905 | 0.96 | P2RY14 (0.33) | KDM1AP2RY14CYP17A1CYP11B2NPC1 | |
| SCHEMBL8036615 | 0.96 | P2RY14 (0.33) | KDM1AP2RY14CYP17A1CYP11B2NPC1 | |
| SCHEMBL8037065 | 0.92 | ESR2 (0.36) | KDM1AP2RY14CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL8037067 | 0.92 | ESR2 (0.36) | KDM1AP2RY14CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL8037070 | 0.92 | ESR2 (0.36) | KDM1AP2RY14CYP17A1CYP11B2CYP11B1 | |
| SCHEMBL3161882 | 0.88 | ESR1 (0.33) | CYP17A1CYP11B2NPC1RAB9ACYP3A4 | |
| SCHEMBL3161886 | 0.88 | ESR1 (0.33) | CYP17A1CYP11B2NPC1RAB9ACYP3A4 | |
| SCHEMBL19850929 | 0.88 | NPC1 (0.34) | P2RY14NPC1RAB9ACYP3A4CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0497176-B1 | Four rings compounds and liquid crystal mixtures containing them | MERCK PATENT GMBH (DE) | 2000-04-05 | — | — | EP | disclosed |
| US-5478497-A | For electro-optical purposes | HOFFMANN-LA ROCHE INC. (US) | 1995-12-26 | — | — | US | disclosed |
| EP-0497176-A2 | Four rings compounds and liquid crystal mixtures containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1992-08-05 | — | — | EP | disclosed |