Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.40 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28478897 | 0.98 | ALDH1A1 (0.40) | ALDH1A1CYP2C19HTTCYP1A2CYP3A4 | |
| SCHEMBL28482466 | 0.95 | SMN1; SMN2 (0.44) | ALDH1A1CYP2C19HTTCYP1A2CYP3A4 | |
| SCHEMBL28480715 | 0.84 | KMT2A (0.47) | ALDH1A1CYP2C19HTTCYP1A2CYP3A4 | |
| SCHEMBL28473212 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CYP2C19HTTCYP1A2CYP3A4 | |
| SCHEMBL29202922 | 0.83 | MAPT (0.52) | ALDH1A1HTTKMT2ALMNAPOLB | |
| SCHEMBL28477490 | 0.81 | SMN1; SMN2 (0.37) | ALDH1A1SMN1; SMN2KMT2APKML3MBTL1 | |
| SCHEMBL28486029 | 0.81 | L3MBTL1 (0.43) | ALDH1A1CYP2C19HTTCYP1A2CYP3A4 | |
| SCHEMBL28901016 | 0.81 | L3MBTL1 (0.46) | ALDH1A1CYP2C19HTTCYP1A2CYP3A4 | |
| SCHEMBL29202905 | 0.80 | TRPV4 (0.40) | ALDH1A1HTTSMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL28485486 | 0.78 | HTT (0.47) | ALDH1A1CYP2C19HTTCYP1A2CYP3A4 |
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-111918864-A | Prodrug compounds activated by AKR1C3 and their use to treat hyperproliferative disorders | 阿基利斯医疗有限公司 | 2020-11-10 | — | — | CN | disclosed |