Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9314771 | 0.98 | PARP1 (0.39) | PARP1CA1CA2TRPA1MAOA | |
| SCHEMBL1681314 | 0.80 | TRPA1 (0.36) | PARP1TRPA1MAOAMAOBKDM4E | |
| SCHEMBL24200860 | 0.79 | — | — | |
| SCHEMBL626635 | 0.77 | MAOA (0.44) | TRPA1MAOAMAOBKDM4ENPC1 | |
| SCHEMBL28321113 | 0.75 | MAOA (0.42) | TRPA1MAOAMAOBKDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL4604472 | 0.75 | MAOA (0.42) | PARP1TRPA1MAOAMAOBIDO1 | |
| Hydrochloric Acid SCHEMBL4604224 | 0.75 | MAOA (0.42) | PARP1TRPA1MAOAMAOBIDO1 | |
| Hydrochloric Acid SCHEMBL30361381 | 0.75 | MAOA (0.42) | PARP1TRPA1MAOAMAOBIDO1 | |
| SCHEMBL2713020 | 0.74 | PARP1 (0.36) | PARP1CA1CA2TRPA1MAOA | |
| SCHEMBL31586332 | 0.73 | TRPA1 (0.50) | PARP1CA1CA2TRPA1MAOA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0583485-A1 | ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. | FUJISAWA PHARMACEUTICAL CO (JP) | 1994-02-23 | — | — | EP | disclosed |