Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7611188 | 0.93 | ALDH1A1 (0.46) | NR1H3ALDH1A1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL7606574 | 0.87 | NR1H3 (0.49) | NR1H3ALDH1A1MEN1KMT2ANPC1 | |
| SCHEMBL7606163 | 0.85 | NR1H3 (0.47) | NR1H3ALDH1A1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL7610361 | 0.85 | NR1H3 (0.46) | NR1H3ALDH1A1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL7611102 | 0.85 | NR1H3 (0.46) | NR1H3ALDH1A1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL7605972 | 0.83 | ALDH1A1 (0.44) | NR1H3ALDH1A1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL7606219 | 0.79 | NPC1 (0.47) | NR1H3KDM4EC5AR1MEN1KMT2A | |
| SCHEMBL7610085 | 0.78 | HDAC3 (0.44) | NR1H3ALDH1A1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL7608224 | 0.78 | MMP1 (0.45) | NR1H3CYP1A2CYP2C19MAPTMMP1 | |
| SCHEMBL7695645 | 0.78 | MMP1 (0.45) | NR1H3CYP1A2CYP2C19MAPTMMP1 |
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 |