Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.61 |
| ▸ | CASP1 | P29466 | 1/20 | 0.61 |
| ▸ | RECQL | P46063 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | PNMT | P11086 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| 3-Chloroaniline SCHEMBL33289 | 1.00 | — | — | |
| 3-Chloroaniline SCHEMBL27766503 | 0.97 | ALDH1A1 (0.94) | ALDH1A1CYP3A4CASP1RECQLSMN1; SMN2 | |
| 3-Chloroaniline SCHEMBL28688528 | 0.97 | — | — | |
| 3-Chloroaniline SCHEMBL28001349 | 0.97 | ALDH1A1 (0.94) | ALDH1A1CYP3A4CASP1RECQLSMN1; SMN2 | |
| 3-Chloroaniline SCHEMBL28232008 | 0.97 | — | — | |
| 3-Chloroaniline SCHEMBL28212280 | 0.97 | — | — | |
| 3-Chloroaniline SCHEMBL2435038 | 0.97 | — | — | |
| 3-Chloroaniline SCHEMBL4374014 | 0.97 | ALDH1A1 (0.94) | ALDH1A1CYP3A4CASP1RECQLSMN1; SMN2 | |
| 3-Chloroaniline SCHEMBL357404 | 0.97 | — | — | |
| 3-Chloroaniline SCHEMBL11817279 | 0.95 | ALDH1A1 (0.90) | ALDH1A1CYP3A4CASP1RECQLSMN1; SMN2 |
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-1858862-A1 | PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2007-11-28 | — | — | EP | disclosed |
| WO-2006094691-A1 | PYRAZINE -2-CARBOXAMIDE DERIVATIVES AS mGluR5 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-09-14 | — | — | WO | disclosed |