Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | F7 | P08709 | 1/20 | 0.35 |
| ▸ | F3 | P13726 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7611109 | 0.89 | AOC3 (0.40) | ALDH1A1NPC1RAB9APOLB | |
| SCHEMBL7610365 | 0.89 | AOC3 (0.40) | ALDH1A1NPC1RAB9APOLB | |
| SCHEMBL7606237 | 0.85 | NPC1 (0.39) | ALDH1A1NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL7608227 | 0.85 | PTGS1 (0.40) | SLC6A2SLC6A3CYP1A2RAB9ASMN1; SMN2 | |
| SCHEMBL7606895 | 0.85 | ABCB1 (0.44) | MEN1KMT2AALDH1A1NPC1RAB9A | |
| SCHEMBL7604970 | 0.83 | NR3C1 (0.43) | MEN1KMT2AALDH1A1F2F10 | |
| SCHEMBL4728796 | 0.83 | AOC3 (0.39) | MEN1KMT2AALDH1A1TRPM8NPC1 | |
| SCHEMBL7611061 | 0.82 | MEN1 (0.41) | MEN1KMT2AALDH1A1TRPM8SLC6A2 | |
| SCHEMBL7606221 | 0.82 | NPC1 (0.46) | MEN1KMT2ATRPM8KDM4EF2 | |
| SCHEMBL7611531 | 0.80 | ESR1 (0.38) | ALDH1A1TRPM8KDM4ENPC1HPGD |
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-1230210-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001036375-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-25 | — | — | WO | disclosed |