Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ACP3 | P15309 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8168112 | 0.81 | ALDH1A1 (0.42) | ALDH1A1PARP1PNMTTSHRACP3 | |
| SCHEMBL29968234 | 0.81 | ALDH1A1 (0.42) | ALDH1A1PARP1PNMTTSHRACP3 | |
| SCHEMBL11103188 | 0.79 | ACP3 (0.44) | ALDH1A1PARP1PNMTTSHRACP3 | |
| SCHEMBL31467547 | 0.77 | PGK1 (0.53) | ALDH1A1PARP1TSHRACP3CHRM5 | |
| SCHEMBL11605110 | 0.77 | HPGD (0.44) | ALDH1A1PARP1TSHRACP3CHRM5 | |
| SCHEMBL11099508 | 0.77 | ALDH1A1 (0.39) | ALDH1A1PARP1PNMTTSHRACP3 | |
| SCHEMBL14450166 | 0.77 | ALDH1A1 (0.39) | ALDH1A1PARP1TSHRACP3CHRM5 | |
| SCHEMBL1069498 | 0.77 | ACP3 (0.47) | ALDH1A1PARP1TSHRACP3CHRM5 | |
| SCHEMBL916920 | 0.77 | PGK1 (0.53) | ALDH1A1PARP1TSHRACP3CHRM5 | |
| SCHEMBL11805101 | 0.76 | PGK1 (0.52) | ALDH1A1PARP1TSHRACP3CHRM5 |
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-113292598-A | Axial chiral biaryl compound with P-stereocenter and synthesis method and application thereof | 陕西师范大学 | 2021-08-24 | — | — | CN | disclosed |