Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.37 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.37 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.37 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | BRCA1 | P38398 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29431895 | 0.86 | CYP3A4 (0.41) | TRPA1ALDH1A1LMNAALOX5HPGD | |
| SCHEMBL167395 | 0.86 | CYP3A4 (0.41) | TRPA1ALDH1A1LMNAALOX5HPGD | |
| Phenoxathiine SCHEMBL7922 | 0.81 | MAOA (0.42) | ALOX5MEN1KMT2ATDP1MAPT | |
| Phenoxathiine SCHEMBL29396568 | 0.81 | MAOA (0.42) | ALOX5MEN1KMT2ATDP1MAPT | |
| Phenoxathiine SCHEMBL29373698 | 0.81 | MAOA (0.42) | ALOX5MEN1KMT2ATDP1MAPT | |
| SCHEMBL19205828 | 0.79 | AHR (0.41) | TRPA1ALOX5MEN1KMT2ATDP1 | |
| Phenoxathiine SCHEMBL5699627 | 0.79 | MAOA (0.40) | TRPA1ALOX5MEN1KMT2ATDP1 | |
| Phenoxathiine SCHEMBL5970725 | 0.79 | MAOA (0.40) | TRPA1ALOX5MEN1KMT2ATDP1 | |
| Phenoxathiine SCHEMBL10512948 | 0.79 | MAOA (0.40) | TRPA1ALOX5MEN1KMT2ATDP1 | |
| SCHEMBL2560385 | 0.77 | ALOX5 (0.47) | ALDH1A1LMNAALOX5TYR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6110961-A | USEFUL IN PROPHYLAXIS AND TREATMENT OF MENTAL DISORDERS, SUCH AS DEPRESSION, ANXIETY | KRENITSKY PHARMACEUTICALS, INC. (US) | 2000-08-29 | — | — | US | disclosed |
| EP-1021434-A2 | PHARMACOLOGICALLY ACTIVE COMPOUNDS AND USE | Krenitsky Pharmaceuticals, Inc. (US) | 2000-07-26 | — | — | EP | disclosed |
| WO-1998012190-A2 | PHENOXATHIIN DERIVATIVES AS INHIBITORS OF MONOAMINE OXIDASE | KRENITSKY PHARMACEUTICAL, INC. (US) | 1998-03-26 | — | — | WO | disclosed |