Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 6/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 4/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL29616337 | 0.82 | MIF (0.62) | MIFCYP3A4TRPA1ALDH1A1HPGD | |
| SCHEMBL2141390 | 0.82 | MIF (0.62) | MIFCYP3A4TRPA1ALDH1A1HPGD | |
| SCHEMBL13525501 | 0.81 | MIF (0.52) | MIFCYP3A4TRPA1ALDH1A1HPGD | |
| SCHEMBL29520482 | 0.78 | LIPG (0.56) | CYP3A4CYP2D6CYP2C9LIPG | |
| SCHEMBL245188 | 0.78 | LIPG (0.56) | CYP3A4CYP2D6CYP2C9LIPG | |
| SCHEMBL8763355 | 0.77 | MIF (0.56) | MIFCYP3A4TRPA1ALDH1A1HPGD | |
| SCHEMBL2049761 | 0.76 | LIPG (0.54) | CYP3A4CYP2D6CYP2C9LIPG | |
| Benzene SCHEMBL3118223 | 0.76 | LIPG (0.54) | CYP3A4CYP2D6CYP2C9LIPG | |
| Hydrogen Sulfide SCHEMBL28851632 | 0.76 | LIPG (0.54) | CYP3A4CYP2D6CYP2C9LIPG | |
| Ammonia Solution, Strong SCHEMBL28991000 | 0.76 | LIPG (0.54) | CYP3A4CYP2D6CYP2C9LIPG |
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-1910280-A2 | PROCESS OF SULFONATING 4-AMINOBENZONITRILES | SCHWARZ PHARMA AG (DE) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007009798-A2 | PROCESS OF SULFONATING 4-AMINOBENZONITRILES | SCHWARZ PHARMA AG (DE) | 2007-01-25 | — | — | WO | disclosed |