Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.53 |
| ▸ | WNT3A | P56704 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7109048 | 1.00 | ALDH1A1 (0.55) | ALDH1A1CES2CES1CTNNB1WNT3A | |
| SCHEMBL9396240 | 0.86 | ALDH1A1 (0.49) | ALDH1A1CES2CES1CTNNB1WNT3A | |
| SCHEMBL11199419 | 0.86 | ALDH1A1 (0.52) | ALDH1A1CES2CES1CTNNB1WNT3A | |
| SCHEMBL14199320 | 0.84 | ALDH1A1 (0.55) | ALDH1A1CES2CES1CTNNB1WNT3A | |
| SCHEMBL14523609 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CES2CES1CTNNB1WNT3A | |
| SCHEMBL14074320 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CES2CES1CTNNB1WNT3A | |
| SCHEMBL20412774 | 0.82 | KDM4E (0.49) | ALDH1A1CES2CES1L3MBTL1LMNA | |
| SCHEMBL23228489 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CES2CES1CTNNB1WNT3A | |
| SCHEMBL8284639 | 0.80 | KDM4E (0.50) | ALDH1A1CES2CES1CTNNB1WNT3A | |
| SCHEMBL29096165 | 0.80 | CES2 (0.52) | ALDH1A1CES2CES1CTNNB1WNT3A |
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-111393434-B | Substituted 4-phenylpiperidines, their preparation and use | 哥伦比亚大学董事会 | 2022-11-04 | — | — | CN | disclosed |