Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | BRD9 | Q9H8M2 | 2/20 | 0.35 |
| ▸ | BRD7 | Q9NPI1 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL9178830 | 0.74 | KDM4E (0.40) | ACHEMAPTMEN1KMT2AKDM4E | |
| SCHEMBL9180722 | 0.72 | KMT2A (0.40) | MEN1KMT2AKDM4EALDH1A1HPGD | |
| SCHEMBL9182860 | 0.71 | HPGD (0.36) | ACHEMAPTL3MBTL1KDM4EALDH1A1 | |
| SCHEMBL20963316 | 0.70 | CYP2D6 (0.47) | CYP2D6ACHETDP1KDM4EALDH1A1 | |
| SCHEMBL4764684 | 0.69 | SHMT2 (0.39) | CYP2D6MAPTMEN1KMT2AL3MBTL1 | |
| SCHEMBL9179384 | 0.69 | KDM4E (0.42) | KDM4EALDH1A1CYP3A4SMN1; SMN2HTT | |
| SCHEMBL9183312 | 0.69 | PDE3B (0.46) | ACHEMAPTKDM4EALDH1A1HPGD | |
| SCHEMBL9180106 | 0.69 | ALDH1A3 (0.32) | ALDH1A1TSHR | |
| SCHEMBL9175477 | 0.69 | ALDH1A1 (0.37) | TDP1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL18280773 | 0.68 | NPC1 (0.43) | ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0412848-A2 | Quinoline derivatives, process for their preparation and their use as medicaments | ZENECA LIMITED (GB) | 1991-02-13 | — | — | EP | disclosed |