Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TERT | O14746 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 2/20 | 0.32 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.30 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9183312 | 0.77 | PDE3B (0.46) | ALDH1A1HPGDHIF1AKDM4EPDE3B | |
| SCHEMBL9182853 | 0.75 | CASP3 (0.36) | — | |
| SCHEMBL9178650 | 0.75 | PARP1 (0.35) | — | |
| SCHEMBL4764684 | 0.74 | SHMT2 (0.39) | ALDH1A1HPGDHIF1ATDP1KDM4E | |
| SCHEMBL9175673 | 0.73 | BRD4 (0.35) | ALDH1A1HPGDHSD17B10KDM4EPDE3B | |
| SCHEMBL339090 | 0.72 | ESR1 (0.39) | ALDH1A1APP | |
| SCHEMBL340495 | 0.71 | NPSR1 (0.46) | ALDH1A1HPGDHSD17B10TDP1KDM4E | |
| SCHEMBL9180722 | 0.71 | KMT2A (0.40) | ALDH1A1HPGDKDM4EELANE | |
| SCHEMBL9180961 | 0.70 | ALDH1A1 (0.36) | ALDH1A1KDM4E | |
| SCHEMBL1888235 | 0.70 | ALDH1A1 (0.42) | ALDH1A1PSMB5CYP3A4HPGDHIF1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5444071-A | Hypotensive agent | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1995-08-22 | — | — | US | disclosed |
| EP-0412848-B1 | Quinoline derivatives, process for their preparation and their use as medicaments | ICI PLC (GB) | 1995-01-18 | — | — | EP | disclosed |
| CN-1050187-A | New quinoline compound and preparation method thereof | ICI PLC (GB) | 1991-03-27 | — | — | CN | disclosed |
| EP-0412848-A2 | Quinoline derivatives, process for their preparation and their use as medicaments | ZENECA LIMITED (GB) | 1991-02-13 | — | — | EP | disclosed |