Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 3/20 | 0.47 |
| ▸ | HRH1 | P35367 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | RGS12 | O14924 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL172552 | 1.00 | ALDH1A1 (0.49) | ALDH1A1AOC3HTR2AHRH1MAPT | |
| SCHEMBL13075028 | 1.00 | ALDH1A1 (0.49) | ALDH1A1AOC3HTR2AHRH1MAPT | |
| SCHEMBL4591305 | 0.89 | LMNA (0.50) | ALDH1A1AOC3HTR2AHRH1MAPT | |
| SCHEMBL14533617 | 0.88 | POLB (0.46) | ALDH1A1AOC3HTR2AHRH1MAPT | |
| SCHEMBL14533565 | 0.86 | ALDH1A1 (0.45) | ALDH1A1HTR2AHRH1MAPTTACR3 | |
| SCHEMBL11638197 | 0.84 | AOC3 (0.48) | ALDH1A1AOC3HTR2AHRH1MAPT | |
| SCHEMBL11256309 | 0.84 | TACR3 (0.44) | ALDH1A1HTR2AHRH1TACR3 | |
| SCHEMBL9149427 | 0.84 | TACR3 (0.44) | ALDH1A1HTR2AHRH1TACR3 | |
| SCHEMBL11153215 | 0.84 | TACR3 (0.44) | ALDH1A1HTR2AHRH1TACR3 | |
| SCHEMBL8695928 | 0.84 | LTA4H (0.47) | ALDH1A1MAPTHTTTSHRALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1255738-B1 | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES INC (US) | 2012-03-07 | — | — | EP | disclosed |