Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | RAB9A | P51151 | 7/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 6/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | TP53 | P04637 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL956335 | 0.88 | HPGD (0.60) | CYP3A4CYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL6694019 | 0.85 | MAPT (0.59) | RAB9APOLBNPC1MEN1KMT2A | |
| SCHEMBL22167182 | 0.85 | MGLL (0.54) | MEN1KMT2AMAPTALDH1A1MAP4K4 | |
| SCHEMBL9314587 | 0.83 | MGLL (0.45) | CYP3A4CYP2D6CYP2C19RAB9APOLB | |
| SCHEMBL9702585 | 0.83 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C19RAB9APOLB | |
| SCHEMBL9573406 | 0.82 | MAPT (0.43) | RAB9APOLBNPC1MEN1KMT2A | |
| Acitazanolast SCHEMBL342549 | 0.81 | GPR35 (0.54) | RAB9APOLBNPC1MEN1KMT2A | |
| SCHEMBL953933 | 0.81 | CYP3A4 (0.40) | CYP3A4CYP2D6CYP2C19RAB9APOLB | |
| Acitazanolast SCHEMBL3116621 | 0.80 | GPR35 (0.53) | RAB9APOLBNPC1MEN1KMT2A | |
| SCHEMBL13545042 | 0.80 | SMN1; SMN2 (0.41) | CYP3A4CYP2D6CYP2C19RAB9ANPC1 |
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-2454243-A2 | TETRAZOLE DERIVATIVES | Merck Serono SA (CH) | 2012-05-23 | — | — | EP | disclosed |
| WO-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |