Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | PPID | Q08752 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2355599 | 1.00 | ALDH1A1 (0.51) | ALDH1A1CYP2C9BCHERIPK1MAPT | |
| SCHEMBL28890860 | 0.76 | CYP2C9 (0.53) | ALDH1A1CYP2C9RIPK1MAPTEPHX2 | |
| SCHEMBL28020779 | 0.74 | CYP1A2 (0.51) | ALDH1A1CYP2C9BCHERIPK1MAPT | |
| SCHEMBL1720194 | 0.73 | ALDH1A1 (0.67) | ALDH1A1CYP2C9BCHERIPK1MAPT | |
| SCHEMBL3075342 | 0.73 | PLAU (0.50) | ALDH1A1CYP2C9BCHEMAPTCYP2D6 | |
| SCHEMBL2351841 | 0.73 | ALDH1A1 (0.55) | ALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL22281955 | 0.73 | ALDH1A1 (0.50) | ALDH1A1CYP2C9BCHESMN1; SMN2 | |
| SCHEMBL9358495 | 0.73 | LMNA (0.47) | ALDH1A1LMNACYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL2351830 | 0.73 | ALDH1A1 (0.55) | ALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL6122148 | 0.73 | ALDH1A1 (0.55) | ALDH1A1MAPTLMNASMN1; SMN2 |
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-2358663-A1 | ENANTIOSELECTIVE SYNTHESIS OF -AMINO- , -UNSATURATED CARBOXYLIC ACID DERIVATIVES | Novartis AG (CH) | 2011-08-24 | — | — | EP | disclosed |
| WO-2010055162-A1 | ENANTIOSELECTIVE SYNTHESIS OF γ-AMINO-α,β-UNSATURATED CARBOXYLIC ACID DERIVATIVES | NOVARTIS AG (CH) | 2010-05-20 | — | — | WO | disclosed |