Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PKLR | P30613 | 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 | |
|---|---|---|---|---|
| SCHEMBL26115458 | 0.81 | KDM1A (0.30) | — | |
| SCHEMBL3977611 | 0.77 | CHRM2 (0.55) | CHRM2CHRM3HTR1AHPGDCRBN | |
| SCHEMBL1971597 | 0.76 | CHRM2 (0.54) | CHRM2CHRM3HTR1AHPGDCA12 | |
| SCHEMBL26119262 | 0.75 | USP2 (0.41) | RORC | |
| SCHEMBL17151131 | 0.70 | HPGD (0.58) | CHRM2CHRM3CYP2C19HPGDCRBN | |
| SCHEMBL1968409 | 0.70 | HTR1A (0.52) | CHRM2CHRM3HTR1A | |
| SCHEMBL1064166 | 0.70 | CA2 (0.32) | CA1CA2 | |
| SCHEMBL5654896 | 0.69 | ALDH1A1 (0.57) | CHRM2CHRM3HTR1AHPGDCRBN | |
| SCHEMBL12491161 | 0.69 | — | — | |
| SCHEMBL5352131 | 0.68 | KDM1A (0.55) | GAACYP2C19RORCALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009060030-A1 | HETEROARYL-SUBSTITUTED 2-PYRIDINYLMETHYLAMINE DERIVATIVES | Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) | 2009-05-14 | — | — | WO | disclosed |
| EP-2058306-A1 | Heteroaryl-substituted 2-pyridinyl-methylamine derivatives | SCHWARZ PHARMA AG (DE) | 2009-05-13 | — | — | EP | disclosed |