Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.52 |
| ▸ | HTR3A | P46098 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL243609 | 0.89 | TAAR1 (0.62) | TAAR1HTR3ATSHRNFKB1HIF1A | |
| Hydrochloric Acid SCHEMBL8186728 | 0.87 | TDP1 (0.64) | TAAR1HTR3ATSHRNFKB1HIF1A | |
| Bromide SCHEMBL28653897 | 0.87 | TAAR1 (0.60) | TAAR1HTR3ATSHRNFKB1HIF1A | |
| SCHEMBL4974933 | 0.83 | TAAR1 (0.73) | TAAR1HTR3ATSHRNFKB1HIF1A | |
| SCHEMBL15653584 | 0.75 | TAAR1 (0.52) | TAAR1HTR3ATSHRNFKB1HIF1A | |
| Hydroquinone SCHEMBL6851266 | 0.74 | MAPT (0.61) | NFKB1HIF1AALOX15KDM4EESR1 | |
| SCHEMBL1118743 | 0.71 | TAAR1 (0.52) | TAAR1HTR3ATSHRNFKB1HIF1A | |
| SCHEMBL1118667 | 0.71 | TAAR1 (0.52) | TAAR1HTR3ATSHRNFKB1HIF1A | |
| SCHEMBL6327537 | 0.71 | TAAR1 (0.47) | TAAR1HTR3ATSHRNFKB1HIF1A | |
| SCHEMBL28332230 | 0.71 | CNR1 (0.44) | TAAR1HTR3ATSHRNFKB1HIF1A |
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 |