Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.33 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.33 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20244406 | 0.88 | CA2 (0.41) | CA2FFAR1FFAR4TAAR1P2RX7 | |
| SCHEMBL81528 | 0.85 | CA2 (0.42) | CA2TAAR1MAPK1MAP2K4MAPKAPK2 | |
| SCHEMBL18590775 | 0.83 | TAAR1 (0.45) | FFAR1FFAR4TAAR1P2RX7TYR | |
| SCHEMBL10914582 | 0.82 | TYR (0.48) | CA2TYRMEN1TP53CYP3A4 | |
| SCHEMBL18851313 | 0.82 | TAAR1 (0.47) | CA2FFAR1FFAR4TAAR1KIF11 | |
| SCHEMBL21507864 | 0.82 | TYR (0.48) | CA2FFAR1FFAR4TAAR1TYR | |
| SCHEMBL21507860 | 0.81 | TYR (0.49) | FFAR1FFAR4TAAR1TYRMEN1 | |
| SCHEMBL10284384 | 0.80 | FFAR1 (0.40) | CA2FFAR1FFAR4TAAR1P2RX7 | |
| SCHEMBL5103770 | 0.80 | FFAR1 (0.56) | FFAR1FFAR4MEN1TSHRKMT2A | |
| SCHEMBL585307 | 0.80 | TP53 (0.41) | CA2TAAR1MEN1TP53MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021226269-A1 | HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS | NUVALENT, INC. (US) | 2021-11-11 | — | — | WO | disclosed |
| EP-3851436-A1 | NOVEL HETEROAROMATIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME | Kaken Pharmaceutical Co., Ltd. (JP) | 2021-07-21 | — | — | EP | disclosed |