Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | CTSF | Q9UBX1 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5281221 | 0.78 | CTSL (0.51) | ALDH1A1KMT2ACTSLCTSBCASP3 | |
| SCHEMBL5191441 | 0.73 | CTSL (0.44) | ALDH1A1MAPK1CYP2C19KMT2ALMNA | |
| SCHEMBL5192047 | 0.69 | KMT2A (0.45) | ALDH1A1MAPK1CYP2C19KMT2ACTSL | |
| SCHEMBL5192050 | 0.68 | CTSL (0.47) | ALDH1A1KMT2ACTSLCTSBCASP3 | |
| SCHEMBL5190965 | 0.66 | CHRNB2 (0.51) | ALDH1A1MAPK1KMT2ACHRNB2CHRNB4 | |
| SCHEMBL29831536 | 0.65 | MKNK1 (0.72) | ALDH1A1MAPK1KMT2ACHRNB2CHRNB4 | |
| SCHEMBL1088707 | 0.65 | MKNK1 (0.72) | ALDH1A1MAPK1KMT2ACHRNB2CHRNB4 | |
| SCHEMBL18705009 | 0.65 | MAPK1 (0.64) | ALDH1A1MAPK1KMT2AMEN1POLB | |
| SCHEMBL3933150 | 0.65 | GRIN2B (0.46) | ALDH1A1CYP2C19KMT2ALMNAITGB3 | |
| Hydrochloric Acid SCHEMBL9785721 | 0.64 | MKNK1 (0.70) | ALDH1A1MAPK1KMT2ACHRNB2CHRNB4 |
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-0968206-B8 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX INC (US) | 2007-01-24 | — | — | EP | claimed |
| EP-0968206-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 2000-01-05 | — | — | EP | claimed |
| WO-1998037079-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 1998-08-27 | — | — | WO | claimed |