Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 17/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 12/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.44 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.44 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| SCHEMBL5899035 | 0.85 | CYP3A4 (0.63) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL8989973 | 0.85 | TAAR1 (0.35) | CYP3A4HDAC6 | |
| SCHEMBL8664103 | 0.81 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL8662192 | 0.79 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL8664769 | 0.75 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL10296786 | 0.73 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL6937753 | 0.71 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL4798487 | 0.71 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL10296768 | 0.71 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL13916311 | 0.70 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 |
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-0720612-A1 | NOVEL SUBSTITUTED PROPANE-2-OL DERIVATIVES | RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) | 1996-07-10 | — | — | EP | claimed |
| WO-1995008552-A1 | NOVEL SUBSTITUTED PROPANE-2-OL DERIVATIVES | Richter Gedeon Vegyészeti Gyár Rt. (HU) | 1995-03-30 | — | — | WO | claimed |