Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3655204 | 0.89 | THRA (0.46) | TAAR1CA12CA1CA2CA5A | |
| SCHEMBL10181582 | 0.88 | THRA (0.51) | TAAR1CA1CA2CA9KDM4E | |
| SCHEMBL7724402 | 0.87 | CA12 (0.42) | TAAR1CA12CA1CA2CA5A | |
| SCHEMBL16127297 | 0.84 | CA2 (0.47) | TAAR1CA12CA1CA2CA5A | |
| SCHEMBL6935164 | 0.84 | TAAR1 (0.42) | TAAR1CA12CA1CA2CA5A | |
| SCHEMBL7724404 | 0.84 | PPARD (0.43) | TAAR1CA12CA1CA2CA5A | |
| SCHEMBL3171854 | 0.82 | TAAR1 (0.41) | TAAR1CA12CA1CA2CA5A | |
| SCHEMBL8837788 | 0.81 | DHODH (0.52) | CA12CA1CA2CA5ACA9 | |
| SCHEMBL4376769 | 0.80 | DRD2 (0.46) | CA12CA1CA2CA5ACA9 | |
| SCHEMBL645987 | 0.79 | EPHX1 (0.39) | TAAR1CA12CA1CA2CA5A |
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 |
|---|---|---|---|---|---|---|---|
| CN-114615981-B | KRAS G12D inhibitors | 米拉蒂治疗股份有限公司 | 2024-04-12 | — | — | CN | disclosed |
| WO-2005040110-A1 | PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS | ELI LILLY AND COMPANY (US) | 2005-05-06 | — | — | WO | disclosed |