Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.41 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24869958 | 0.88 | PNMT (0.54) | GPR35MAPK1ALDH1A1HPGDTP53 | |
| SCHEMBL28069542 | 0.88 | PNMT (0.54) | GPR35MAPK1ALDH1A1HPGDTP53 | |
| SCHEMBL29847105 | 0.78 | GPR35 (0.46) | GPR35MAPK1ALDH1A1HPGDTP53 | |
| SCHEMBL306355 | 0.78 | GPR35 (0.46) | GPR35MAPK1ALDH1A1HPGDTP53 | |
| SCHEMBL1647316 | 0.78 | GPR35 (0.46) | GPR35MAPK1ALDH1A1HPGDTP53 | |
| SCHEMBL6997080 | 0.77 | GPR35 (0.44) | GPR35MAPK1ALDH1A1HPGDTP53 | |
| SCHEMBL6999559 | 0.77 | GPR35 (0.44) | GPR35MAPK1ALDH1A1HPGDTP53 | |
| SCHEMBL31275806 | 0.77 | MAPT (0.49) | GPR35ALDH1A1TSHRMAPTALOX15 | |
| SCHEMBL27035058 | 0.77 | ATM (0.46) | ALDH1A1SMN1; SMN2MAPTADRA2APNMT | |
| SCHEMBL23727501 | 0.77 | TSHR (0.46) | GPR35MAPK1ALDH1A1TSHRADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-104876914-A | Pyrimidine derivative type anaplastic lymphoma kinase inhibitor | KBP BIOSCIENCES CO LTD | 2015-09-02 | — | — | CN | disclosed |