Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | PPARG | P37231 | 1/20 | 0.56 |
| ▸ | PPARD | Q03181 | 1/20 | 0.56 |
| ▸ | PPARA | Q07869 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19805979 | 0.88 | ALDH1A1 (0.50) | ALDH1A1PPARGPPARDPPARACA2 | |
| SCHEMBL22912300 | 0.79 | ADRB2 (0.45) | ALDH1A1PPARGPPARDPPARACYP1A2 | |
| SCHEMBL22912199 | 0.76 | ALDH1A1 (0.49) | ALDH1A1PPARGPPARDPPARAKDM4E | |
| SCHEMBL5675706 | 0.73 | HTR7 (0.64) | ALDH1A1PPARGPPARDPPARACA2 | |
| SCHEMBL19806126 | 0.73 | CYP3A4 (0.53) | CYP1A2CYP3A4CYP2D6MAPTSMN1; SMN2 | |
| SCHEMBL17616775 | 0.73 | ALDH1A1 (0.62) | ALDH1A1PPARGPPARDPPARACA2 | |
| Methyleugenol SCHEMBL113794 | 0.72 | ALDH1A1 (1.00) | ALDH1A1PPARGPPARDPPARACA2 | |
| Methyleugenol SCHEMBL29376951 | 0.72 | ALDH1A1 (1.00) | ALDH1A1PPARGPPARDPPARACA2 | |
| Methyleugenol SCHEMBL1869396 | 0.72 | ALDH1A1 (1.00) | ALDH1A1PPARGPPARDPPARACA2 | |
| SCHEMBL14237559 | 0.72 | CA2 (0.61) | ALDH1A1PPARGPPARDPPARACA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3484854-B1 | APOPTOSIS INHIBITORS | NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) | 2021-01-20 | — | — | EP | disclosed |
| WO-2018014802-A1 | APOPTOSIS INHIBITORS | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2018-01-25 | — | — | WO | disclosed |