Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 3/20 | 0.45 |
| ▸ | HTR1B | P28222 | 3/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8036952 | 0.99 | HTR1D (0.44) | HTR1DHTR1BROCK2CCR2ROCK1 | |
| SCHEMBL7805945 | 0.83 | DRD4 (0.49) | HTR1DHTR1BALDH1A1KDM4EKMT2A | |
| SCHEMBL7798179 | 0.83 | HTR1D (0.46) | HTR1DHTR1BTRPV6PARP1JAK2 | |
| Hydrochloric Acid SCHEMBL8037880 | 0.82 | DRD4 (0.48) | HTR1DHTR1BALDH1A1KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL8172775 | 0.82 | HTR1D (0.45) | HTR1DHTR1BTRPV6PARP1JAK2 | |
| SCHEMBL7804112 | 0.79 | CFTR (0.40) | ROCK2CCR2ROCK1PARP1CXCR3 | |
| SCHEMBL7804158 | 0.77 | HTR1B (0.50) | HTR1DHTR1B | |
| SCHEMBL7804076 | 0.77 | HTR1D (0.44) | HTR1DHTR1BROCK2CCR2ROCK1 | |
| Hydrochloric Acid SCHEMBL8021880 | 0.76 | HTR1B (0.49) | HTR1DHTR1B | |
| Hydrochloric Acid SCHEMBL8031070 | 0.76 | HTR1D (0.44) | HTR1DHTR1BROCK2CCR2ROCK1 |
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-0902027-B1 | Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them | ADIR (FR) | 2001-07-25 | — | — | EP | disclosed |
| EP-0902027-A1 | Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1999-03-17 | — | — | EP | disclosed |