Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.50 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5391586 | 0.87 | ALDH1A1 (0.63) | ALDH1A1LMNACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16824922 | 0.84 | ALDH1A1 (0.59) | ALDH1A1LMNACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6315934 | 0.83 | ALDH1A1 (0.62) | ALDH1A1LMNACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16824919 | 0.83 | ALDH1A1 (0.61) | ALDH1A1LMNACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL12341392 | 0.80 | ALDH1A1 (0.76) | ALDH1A1LMNACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6269637 | 0.80 | ALDH1A1 (0.60) | ALDH1A1LMNACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6449799 | 0.78 | ALDH1A1 (0.64) | ALDH1A1LMNACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7985192 | 0.77 | ALDH1A1 (0.62) | ALDH1A1LMNACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5393900 | 0.77 | LMNA (0.67) | ALDH1A1LMNACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL19212110 | 0.76 | ALDH1A1 (0.61) | ALDH1A1LMNACYP3A4CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1265891-B1 | NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES | CONSEILS DE RECH SET D APPLIC (FR) | 2004-12-29 | — | — | EP | disclosed |
| EP-1265891-A2 | NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 2002-12-18 | — | — | EP | disclosed |
| WO-2001068643-A2 | NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 2001-09-20 | — | — | WO | disclosed |