Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.37 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL980263 | 0.78 | HTR3E (0.48) | ALDH1A1MAPTNPSR1KDM4EIMPDH2 | |
| SCHEMBL5329622 | 0.74 | GPR84 (0.44) | KDM4EIMPDH2IMPDH1CCNT1CDK9 | |
| SCHEMBL1200586 | 0.73 | SMN1; SMN2 (0.71) | ALDH1A1SMN1; SMN2RAB9ALMNATP53 | |
| SCHEMBL4992479 | 0.72 | CCNT1 (0.52) | ALDH1A1KDM4EHPGDIMPDH2IMPDH1 | |
| SCHEMBL4765036 | 0.71 | KDM4E (0.47) | ALDH1A1SMN1; SMN2LMNAMAPTKDM4E | |
| SCHEMBL8320200 | 0.70 | IMPDH2 (0.37) | KDM4EIMPDH2IMPDH1XDHCCNT1 | |
| SCHEMBL27680529 | 0.70 | GPR84 (0.50) | ALDH1A1IMPDH2IMPDH1CCNT1CDK9 | |
| SCHEMBL5322018 | 0.69 | IMPDH2 (0.46) | ALDH1A1LMNAMAPTNPSR1KDM4E | |
| SCHEMBL13202452 | 0.69 | NR4A2 (0.44) | ALDH1A1RAB9ATP53NPC1KDM4E | |
| SCHEMBL3882080 | 0.69 | IMPDH2 (0.46) | IMPDH2IMPDH1XDHCCNT1CDK9 |
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-1117659-B1 | SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS | WYETH CORP (US) | 2003-12-03 | — | — | EP | disclosed |
| US-6288082-B1 | COMPOUNDS SUCH AS 6,7-DIETHOXY-4-(INDAN-5-YLAMINO) -QUINOLINE-3-CARBONITRILE USED AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYCSTIC KIDNEY DISEASE | AMERICAN CYANAMID COMPANY | 2001-09-11 | — | — | US | disclosed |