Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.40 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.40 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.40 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9150299 | 0.88 | KCNH2 (0.45) | TAAR1KCNH2AOC3MAOBKDM4E | |
| SCHEMBL29274338 | 0.82 | TAAR1 (0.50) | TAAR1KDM4EALDH1A1 | |
| SCHEMBL27666245 | 0.81 | KCNH2 (0.55) | TAAR1KCNH2AOC3MAOBKDM4E | |
| SCHEMBL27425537 | 0.80 | CYP1A2 (0.48) | TAAR1KCNH2ALDH1A1IDO1HRH1 | |
| SCHEMBL27454262 | 0.78 | TAAR1 (0.47) | TAAR1KDM4EALDH1A1POLBCTDSP1 | |
| SCHEMBL27427314 | 0.78 | TAAR1 (0.47) | TAAR1AOC3MAOBIDO1 | |
| SCHEMBL9467297 | 0.78 | TAAR1 (0.58) | TAAR1KCNH2AOC3MAOBIDO1 | |
| SCHEMBL9152724 | 0.78 | ESR1 (0.54) | TAAR1KDM4EALDH1A1HTR3ASLC6A2 | |
| SCHEMBL27906683 | 0.78 | TAAR1 (0.46) | TAAR1KCNH2AOC3MAOBIDO1 | |
| SCHEMBL432651 | 0.77 | TAAR1 (0.50) | TAAR1KCNH2AOC3MAOBKDM4E |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2812001-A2 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | Constellation Pharmaceuticals, Inc. (US) | 2014-12-17 | — | — | EP | disclosed |
| WO-2013120104-A2 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS (US) | 2013-08-15 | — | — | WO | disclosed |
| CN-1110486-C | Substituted 2-amino-4-alkylamino-1, 3, 5-triazines as herbicides | BAYER AG (DE) | 2003-06-04 | — | — | CN | disclosed |
| CN-1239956-A | Substituted 2-amino-4-alkylamino-1,3,5-triazines as herbicides | BAYER AG (DE) | 1999-12-29 | — | — | CN | disclosed |
| US-5393774-A | Antispasmodic agents | PIEPER HELMUT (DE) | 1995-02-28 | — | — | US | disclosed |
| EP-0500853-A1 | PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM. | THOMAE GMBH DR K (DE) | 1992-09-02 | — | — | EP | disclosed |
| WO-1992004316-A1 | PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1992-03-19 | — | — | WO | disclosed |