Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | TACR2 | P21452 | 1/20 | 0.53 |
| ▸ | TACR1 | P25103 | 1/20 | 0.53 |
| ▸ | TACR3 | P29371 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2730507 | 0.85 | PHGDH (0.58) | CYP1A2CYP2D6CYP2C9CYP2C19MAPT | |
| SCHEMBL10957361 | 0.85 | CA12 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9TACR2 | |
| SCHEMBL30722849 | 0.85 | HDAC3 (0.56) | MAPTRAB9ANPC1SMN1; SMN2CA12 | |
| SCHEMBL4298598 | 0.85 | PHGDH (0.59) | CA12CA1CA2CA9PHGDH | |
| SCHEMBL5022767 | 0.85 | TSHR (0.58) | CYP1A2CYP3A4CYP2D6CYP2C9TACR2 | |
| SCHEMBL10960418 | 0.85 | CA12 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9TACR2 | |
| SCHEMBL30722873 | 0.84 | CA12 (0.48) | SMN1; SMN2CA12CA1CA2CA9 | |
| SCHEMBL28014535 | 0.83 | MAPT (0.52) | CYP1A2CYP3A4CYP2D6CYP2C9TACR2 | |
| SCHEMBL2565586 | 0.83 | MAPT (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9TACR2 | |
| SCHEMBL3103714 | 0.82 | MAPT (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9TACR2 |
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 |