Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL28028102 | 0.82 | TAAR1 (0.42) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL104529 | 0.80 | CYP3A4 (0.48) | CYP3A4CYP1A2CYP2C9CYP2C19LOXL2 | |
| Ammonia Solution, Strong SCHEMBL29040632 | 0.78 | CYP3A4 (0.47) | CYP3A4CYP1A2CYP2C9CYP2C19LOXL2 | |
| SCHEMBL26329006 | 0.78 | CYP3A4 (0.47) | CYP3A4CYP1A2CYP2C9CYP2C19LOXL2 | |
| Iodide SCHEMBL1750931 | 0.78 | CYP2C9 (0.47) | CYP3A4CYP1A2CYP2C9CYP2C19LOXL2 | |
| SCHEMBL21851278 | 0.78 | CYP3A4 (0.47) | CYP3A4CYP1A2CYP2C9CYP2C19LOXL2 | |
| SCHEMBL16321985 | 0.76 | TAAR1 (0.60) | LOXL2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11062127 | 0.76 | CYP3A4 (0.45) | CYP3A4CYP1A2CYP2C9CYP2C19LOXL2 | |
| SCHEMBL8513064 | 0.76 | CYP3A4 (0.55) | CYP3A4CYP1A2CYP2C9CYP2C19LOXL2 | |
| SCHEMBL4690574 | 0.76 | CYP3A4 (0.45) | CYP3A4CYP1A2CYP2C9CYP2C19LOXL2 |
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-2004623-A1 | PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS | Nerviano Medical Sciences S.r.l. (IT) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007110344-A1 | PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2007-10-04 | — | — | WO | disclosed |