Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 7/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 7/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | ABCC8 | Q09428 | 2/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.33 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4414895 | 0.81 | ALDH1A1 (0.50) | NPC1LMNACYP3A4MAPK1ALDH1A1 | |
| SCHEMBL4565762 | 0.76 | ELANE (0.54) | ELANENR1H4CASP1CASP3CASP6 | |
| SCHEMBL4413017 | 0.76 | SMN1; SMN2 (0.44) | SLC6A2SLC6A4SLC6A3LMNAMAPK1 | |
| SCHEMBL4413263 | 0.76 | CNR2 (0.50) | NPC1SLC6A2SLC6A4SLC6A3TDP1 | |
| SCHEMBL4411439 | 0.76 | KMT2A (0.56) | KEAP1NFE2L2LMNATDP1ALDH1A1 | |
| SCHEMBL4413648 | 0.76 | TDP1 (0.59) | LMNACYP3A4MAPK1TDP1ALDH1A1 | |
| SCHEMBL4420755 | 0.75 | POLB (0.54) | ALDH1A1MAPTHPGDKMT2A | |
| SCHEMBL8838330 | 0.75 | ALDH1A1 (0.36) | NPC1KEAP1NFE2L2LMNACYP3A4 | |
| SCHEMBL7877154 | 0.75 | KEAP1 (0.45) | KEAP1NFE2L2TDP1ALDH1A1MAPT | |
| SCHEMBL4423219 | 0.73 | ALDH1A1 (0.53) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6333351-B1 | ENZYME INHIBITORS WITH CARRIERS | ATHENA NEUROSCIENCES, INC. | 2001-12-25 | — | — | US | claimed |