Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYSLTR2 | Q9NS75 | 6/20 | 0.41 |
| ▸ | CYSLTR1 | Q9Y271 | 6/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | BID | P55957 | 3/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.40 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2449732 | 0.95 | LIPG (0.49) | TSHRLIPGCYSLTR2CYSLTR1TP53 | |
| SCHEMBL26216122 | 0.89 | KDR (0.43) | TSHRHTTTDP1L3MBTL1TP53 | |
| SCHEMBL7336813 | 0.86 | FOLH1 (0.40) | HTTCYP3A4ALDH1A1LMNA | |
| SCHEMBL10174587 | 0.83 | CLCN2 (0.42) | TSHRHTTTP53HPGDALDH1A1 | |
| SCHEMBL2567958 | 0.82 | TSHR (0.47) | TSHRLIPGHTTTDP1L3MBTL1 | |
| SCHEMBL1404026 | 0.82 | TSHR (0.47) | TSHRLIPGHTTTDP1L3MBTL1 | |
| SCHEMBL19574777 | 0.81 | HTT (0.35) | HTTCYSLTR2CYSLTR1CYP3A4ALDH1A1 | |
| SCHEMBL1131361 | 0.80 | TSHR (0.46) | TSHRLIPGHTTTDP1L3MBTL1 | |
| SCHEMBL2171647 | 0.80 | TSHR (0.46) | TSHRLIPGHTTTDP1L3MBTL1 | |
| SCHEMBL165530 | 0.80 | FOLH1 (0.61) | TSHRTP53CYP3A4MAPK1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109476616-A | Piperazinyl methanone NAAA inhibitor | 加利福尼亚大学董事会 | 2019-03-15 | — | — | CN | disclosed |