Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.45 |
| ▸ | MAOB | P27338 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6061518 | 0.98 | MAOA (0.44) | MAOAMAOBCYP1A2MAPTHPGD | |
| Hydrochloric Acid SCHEMBL6061385 | 0.98 | MAOA (0.47) | MAOAMAOBCYP1A2MAPTHPGD | |
| SCHEMBL12422670 | 0.78 | ALDH1A1 (0.44) | HPGDCES2CES1ALDH1A1TDP1 | |
| SCHEMBL14132578 | 0.77 | HTT (0.47) | HPGDALDH1A1POLBKMT2ALMNA | |
| Hydrochloric Acid SCHEMBL17200381 | 0.76 | ALDH1A1 (0.42) | HPGDCES2CES1ALDH1A1TDP1 | |
| SCHEMBL9266647 | 0.76 | MAOA (0.49) | MAOAMAOBCYP1A2CYP2C19CES2 | |
| SCHEMBL7264432 | 0.75 | MAPT (0.52) | MAOAMAOBMAPTHPGDALDH1A1 | |
| SCHEMBL27300688 | 0.74 | MAOA (0.49) | MAOAMAOBCYP1A2MAPTHPGD | |
| SCHEMBL17450499 | 0.73 | MEN1 (0.40) | MAOAMAOBCYP1A2MAPTHPGD | |
| SCHEMBL19240367 | 0.73 | HDAC1 (0.45) | MAPTALDH1A1POLBTSHRKMT2A |
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-0022906-B1 | PROCESS FOR THE PREPARATION OF PYRAZOLE DERIVATIVES | SCHERING AKTIENGESELLSCHAFT (DE) | 1984-08-08 | — | — | EP | disclosed |
| EP-0022906-A1 | Process for the preparation of pyrazole derivatives | SCHERING AKTIENGESELLSCHAFT (DE) | 1981-01-28 | — | — | EP | disclosed |