Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.67 |
| ▸ | IDO1 | P14902 | 2/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1740903 | 0.80 | HTR2A (1.00) | HTR2AIDO1ADRA1ATAAR1 | |
| SCHEMBL1740902 | 0.80 | HTR2A (1.00) | HTR2AIDO1ADRA1ATAAR1 | |
| SCHEMBL3460220 | 0.80 | HTR2A (1.00) | HTR2AIDO1ADRA1ATAAR1 | |
| SCHEMBL31545209 | 0.80 | HTR2A (1.00) | HTR2AIDO1ADRA1ATAAR1 | |
| Hydrochloric Acid SCHEMBL3486527 | 0.79 | HTR2A (0.97) | HTR2AIDO1ADRA1ATAAR1 | |
| Hydrochloric Acid SCHEMBL30861235 | 0.79 | HTR2A (0.97) | HTR2AIDO1ADRA1ATAAR1 | |
| Hydrochloric Acid SCHEMBL29542459 | 0.79 | HTR2A (0.97) | HTR2AIDO1ADRA1ATAAR1 | |
| SCHEMBL11609582 | 0.78 | HTR2A (0.71) | HTR2AIDO1ADRA1ATAAR1HSD17B10 | |
| Hydrochloric Acid SCHEMBL29171813 | 0.78 | HTR2A (0.71) | HTR2AIDO1ADRA1ATAAR1HSD17B10 | |
| SCHEMBL30855280 | 0.78 | HTR2A (0.71) | HTR2AIDO1ADRA1ATAAR1HSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |