Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7605332 | 0.94 | ABCB1 (0.37) | ABCB1KDM4EERN1TDP1 | |
| SCHEMBL7605451 | 0.91 | ALDH1A1 (0.44) | NR1H3HDAC8RAB9AKDM4EERN1 | |
| SCHEMBL7608356 | 0.82 | ALOX5 (0.44) | ABCB1 | |
| SCHEMBL7606836 | 0.80 | ALDH1A1 (0.49) | NR1H3ABCB1ERN1MEN1KMT2A | |
| SCHEMBL7606266 | 0.79 | ELANE (0.42) | ABCB1 | |
| SCHEMBL7612363 | 0.79 | NPC1 (0.48) | RAB9AKDM4EMEN1KMT2ATRPM8 | |
| SCHEMBL7611651 | 0.77 | ALDH1A1 (0.42) | NR1H3ABCB1RAB9AMEN1KMT2A | |
| SCHEMBL7611730 | 0.76 | ALDH1A1 (0.52) | NR1H3ABCB1RAB9AMEN1KMT2A | |
| SCHEMBL7605446 | 0.76 | ALDH1A1 (0.52) | NR1H3ABCB1RAB9AMEN1KMT2A | |
| SCHEMBL7611594 | 0.76 | MAPT (0.48) | ABCB1RAB9AMEN1KMT2AALDH1A1 |
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 |