Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRNP | P04156 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.45 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.39 |
| ▸ | MAPKAPK3 | Q16644 | 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 | |
|---|---|---|---|---|
| SCHEMBL11070857 | 0.83 | RXFP1 (0.46) | PRNPCYP1A2CYP2C9CYP2C19PPARG | |
| SCHEMBL11073722 | 0.81 | PIN1 (0.46) | ALDH1A1MAPK1MAP2K4MAPKAPK3MAPK6 | |
| SCHEMBL23294716 | 0.76 | NPC1 (0.46) | ALDH1A1HCAR2RAB9ANPC1MAPK1 | |
| SCHEMBL4678365 | 0.72 | MAP2K4 (0.48) | RAB9APOLBMAPK1MAP2K4MAPKAPK3 | |
| SCHEMBL11074145 | 0.71 | RAB9A (0.48) | CYP1A2NPSR1ALDH1A1RAB9ANPC1 | |
| SCHEMBL23329268 | 0.70 | NPC1 (0.46) | CYP1A2ALDH1A1HCAR2RAB9ANPC1 | |
| SCHEMBL4683639 | 0.69 | GRK6 (0.45) | ALDH1A1MAPK1MAPT | |
| SCHEMBL25181131 | 0.69 | GPR35 (0.44) | HCAR2RAB9ANPC1MAPK1MAP2K4 | |
| SCHEMBL2493690 | 0.69 | DHODH (0.75) | AURKB | |
| SCHEMBL23294535 | 0.68 | BCL2 (0.51) | HCAR2MAPK1MAP2K4MAPKAPK3MAPK6 |
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-0112623-A2 | 3-Aryl-5-pyrazole-carboxylic-acid derivatives, their preparation and pharmaceutical compositions | ELI LILLY AND COMPANY (US) | 1984-07-04 | — | — | EP | disclosed |