Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.62 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 7/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.55 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.54 |
| ▸ | CASP4 | P49662 | 1/20 | 0.54 |
| ▸ | CASP5 | P51878 | 1/20 | 0.54 |
| ▸ | CCR2 | P41597 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3201205 | 0.88 | ALDH1A1 (0.60) | ALDH1A1LMNACYP2C19CYP3A4CYP2C9 | |
| SCHEMBL6449799 | 0.83 | ALDH1A1 (0.64) | ALDH1A1LMNACYP2C19CYP3A4CYP2C9 | |
| SCHEMBL5206645 | 0.83 | POLB (0.68) | ALDH1A1LMNAMAPTTDP1SMN1; SMN2 | |
| SCHEMBL6315934 | 0.81 | ALDH1A1 (0.62) | ALDH1A1LMNACYP2C19CYP3A4CYP2C9 | |
| SCHEMBL5393900 | 0.81 | LMNA (0.67) | ALDH1A1LMNACYP2C19CYP3A4CYP2C9 | |
| SCHEMBL6858096 | 0.81 | MEN1 (0.65) | ALDH1A1LMNACYP2C19CYP3A4CYP2C9 | |
| SCHEMBL6815260 | 0.80 | GAA (0.69) | ALDH1A1LMNACYP2C19CYP3A4CYP2C9 | |
| SCHEMBL19212110 | 0.80 | ALDH1A1 (0.61) | ALDH1A1LMNACYP2C19CYP3A4CYP2C9 | |
| SCHEMBL3957309 | 0.80 | ALDH1A1 (0.70) | ALDH1A1LMNACYP2C19CYP3A4CYP2C9 | |
| SCHEMBL11551872 | 0.80 | KDM4E (0.57) | ALDH1A1LMNAMAPTTDP1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-6333320-B1 | USEFUL AS DRUGS, ESPECIALLY AS AN ACTIVATED BLOOD COAGULATION FACTOR X INHIBITOR | Yamanouchi Pharmaceutical Co. (JP) | 2001-12-25 | — | — | US | disclosed |
| EP-1000936-A1 | NOVEL HEXAHYDRO-1,4-DIAZEPINE DERIVATIVES OR SALTS THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2000-05-17 | — | — | EP | disclosed |