Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | ALB | P02768 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8520613 | 0.95 | ALDH1A1 (0.62) | ALDH1A1CYP2C9CYP3A4CYP2C19MCHR1 | |
| SCHEMBL9827142 | 0.92 | ALDH1A1 (0.62) | ALDH1A1CYP2C9CYP3A4CYP2C19MCHR1 | |
| SCHEMBL9834726 | 0.89 | ALDH1A1 (0.62) | ALDH1A1CYP2C9CYP3A4CYP2C19MCHR1 | |
| SCHEMBL3013104 | 0.86 | ALDH1A1 (0.80) | ALDH1A1CYP2C9CYP3A4CYP2C19MCHR1 | |
| SCHEMBL8778830 | 0.84 | ALDH1A1 (0.77) | ALDH1A1CYP2C9CYP3A4CYP2C19MCHR1 | |
| SCHEMBL9827114 | 0.84 | ALDH1A1 (0.61) | ALDH1A1CYP2C9CYP3A4CYP2C19LMNA | |
| SCHEMBL15360094 | 0.83 | ALDH1A1 (0.58) | ALDH1A1CYP2C9CYP3A4CYP2C19MCHR1 | |
| SCHEMBL9099947 | 0.82 | ALDH1A1 (0.74) | ALDH1A1CYP2C9CYP3A4CYP2C19MCHR1 | |
| SCHEMBL9103003 | 0.82 | ALDH1A1 (0.74) | ALDH1A1CYP2C9CYP3A4CYP2C19MCHR1 | |
| SCHEMBL8340902 | 0.82 | ALDH1A1 (0.74) | ALDH1A1CYP2C9CYP3A4CYP2C19MCHR1 |
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-0215319-B1 | GEM-DIHALO-1,8-DIAMINO-4-AZA-OCTANES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-10-16 | — | — | EP | claimed |
| EP-0215319-B1 | GEM-DIHALO-1,8-DIAMINO-4-AZA-OCTANES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-10-16 | — | — | EP | disclosed |