Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.80 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.80 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.80 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.66 |
| ▸ | MAPT | P10636 | 3/20 | 0.66 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.53 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.53 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1093746 | 0.89 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL11098510 | 0.82 | ALDH1A1 (0.65) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL671759 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL29954469 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL8029115 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL13240227 | 0.78 | ALDH1A1 (0.73) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL6855717 | 0.78 | ALDH1A1 (0.73) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL2006475 | 0.77 | ALDH1A1 (0.75) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL1395319 | 0.77 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL8238106 | 0.76 | ALDH1A1 (0.71) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT |
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-0055068-B1 | QUINOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | Lilly Industries Limited (GB) | 1984-10-17 | — | — | EP | disclosed |
| US-4390541-A | ANTIALLERGENS; ANTISPASMODIC AGENTS | LILLY INDUSTRIES LIMITED (GB) | 1983-06-28 | — | — | US | disclosed |
| EP-0055068-A1 | Quinolone derivatives and their use as pharmaceuticals | Lilly Industries Limited (GB) | 1982-06-30 | — | — | EP | disclosed |