Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.48 |
| ▸ | ERN1 | O75460 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.44 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1782199 | 1.00 | GPBAR1 (0.48) | GPBAR1ERN1MAOAMAOBALDH1A1 | |
| SCHEMBL22259607 | 0.86 | ERN1 (0.57) | ERN1ALDH1A1SMN1; SMN2HPGDTACR2 | |
| SCHEMBL31073591 | 0.83 | MLYCD (0.48) | GPBAR1MAOAMAOBALDH1A1TAS1R3 | |
| SCHEMBL1438344 | 0.83 | MLYCD (0.48) | GPBAR1MAOAMAOBALDH1A1TAS1R3 | |
| SCHEMBL2653855 | 0.82 | CES2 (0.59) | ERN1MAOAMAOBALDH1A1TAS1R3 | |
| SCHEMBL355700 | 0.79 | HSP90AA1 (0.67) | ERN1ALDH1A1SMN1; SMN2HPGDHSP90AA1 | |
| SCHEMBL91409 | 0.79 | ERN1 (0.49) | GPBAR1ERN1MAOAMAOBALDH1A1 | |
| SCHEMBL12599208 | 0.79 | NPC1 (0.49) | ALDH1A1MEN1KMT2ASMN1; SMN2HPGD | |
| SCHEMBL3787476 | 0.79 | ALDH1A1 (0.51) | ALDH1A1MEN1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL19750356 | 0.79 | TSHR (0.46) | GPBAR1MAOAMAOBALDH1A1SMN1; SMN2 |
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-110167926-B | Poly-ADP ribose polymerase (PARP) inhibitors | 米托布里奇公司 | 2022-09-13 | — | — | CN | disclosed |