Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL589307 | 0.86 | MAOB (0.50) | MAOAMAOBCYP19A1CA1CA2 | |
| SCHEMBL30279898 | 0.86 | MAOB (0.50) | MAOAMAOBCYP19A1CA1CA2 | |
| SCHEMBL23779534 | 0.80 | MAOB (0.52) | MAOAMAOBCYP19A1CA1CA2 | |
| SCHEMBL29634429 | 0.80 | MAOB (0.52) | MAOAMAOBCYP19A1CA1CA2 | |
| SCHEMBL13745303 | 0.79 | MAOA (0.47) | MAOAMAOBCYP19A1CA1CA2 | |
| SCHEMBL6401924 | 0.79 | ALDH1A1 (0.53) | MAOAMAOBCYP19A1CA1CA2 | |
| SCHEMBL30010246 | 0.79 | ALDH1A1 (0.53) | MAOAMAOBCYP19A1CA1CA2 | |
| SCHEMBL2464599 | 0.79 | CA1 (0.59) | MAOAMAOBCYP19A1CA1CA2 | |
| SCHEMBL7720120 | 0.76 | MAOB (0.44) | MAOAMAOBCYP19A1CA1CA2 | |
| SCHEMBL2991205 | 0.76 | CA1 (0.46) | MAOAMAOBCYP19A1CA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012059932-A1 | 2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2012-05-10 | — | — | WO | disclosed |