Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 5/20 | 0.39 |
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | CA4 | P22748 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | IL1RN | P18510 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22095297 | 1.00 | ALDH1A1 (0.48) | ALDH1A1LMNAGAAHPGDMAPT | |
| SCHEMBL8977349 | 0.75 | GAA (0.46) | ALDH1A1LMNAGAAHPGDMAPT | |
| SCHEMBL8977354 | 0.75 | GAA (0.46) | ALDH1A1LMNAGAAHPGDMAPT | |
| SCHEMBL7474554 | 0.73 | P2RY2 (0.44) | ALDH1A1GAAMAPTSMN1; SMN2MEN1 | |
| SCHEMBL11194588 | 0.73 | TSHR (0.46) | ALDH1A1HPGDMAPTSMN1; SMN2CA1 | |
| SCHEMBL2915843 | 0.71 | GFER (0.46) | ALDH1A1LMNAGAAHPGDMAPT | |
| SCHEMBL31215190 | 0.71 | BCAT1 (0.46) | ALDH1A1LMNAMAPTSMN1; SMN2HTT | |
| SCHEMBL722599 | 0.71 | BCAT1 (0.46) | ALDH1A1LMNAMAPTSMN1; SMN2HTT | |
| SCHEMBL4700990 | 0.71 | CA9 (0.46) | ALDH1A1LMNAGAAHPGDMAPT | |
| SCHEMBL28416337 | 0.70 | GAA (0.42) | ALDH1A1LMNAGAAHPGDMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020123855-A1 | INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION | UNIVERSITY OF WASHINGTON (US) | 2020-06-18 | — | — | WO | disclosed |