Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.45 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2574998 | 0.74 | CYP3A4 (0.46) | ALDH1A1HTTMCL1HPGDGAA | |
| SCHEMBL805317 | 0.72 | ELANE (0.47) | ALDH1A1MCL1HPGDGAACYP3A4 | |
| SCHEMBL6176299 | 0.71 | CYP3A4 (0.43) | ALDH1A1HTTMCL1HPGDGAA | |
| SCHEMBL6024280 | 0.71 | HSD17B3 (0.36) | ALDH1A1HTTMCL1HPGDGAA | |
| SCHEMBL11658149 | 0.69 | ALDH1A1 (0.54) | ALDH1A1HTTMCL1HPGDGAA | |
| SCHEMBL11861985 | 0.68 | KDM4E (0.58) | ALDH1A1HTTMCL1HPGDGAA | |
| SCHEMBL16432837 | 0.68 | ELANE (0.46) | ALDH1A1HTTMEN1KMT2AKDM4E | |
| SCHEMBL7968690 | 0.68 | MEN1 (0.48) | ALDH1A1HTTMCL1HPGDGAA | |
| SCHEMBL15459453 | 0.67 | NQO1 (0.41) | ALDH1A1HTTMCL1HPGDGAA | |
| SCHEMBL11851803 | 0.67 | ALDH1A1 (0.50) | ALDH1A1HTTGAAMAPK1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1215835-C | Ketone derivatives and medical use thereof | TORAY INDUSTRIES (JP) | 2005-08-24 | — | — | CN | disclosed |
| US-6215016-B1 | HEMATOPOIETIC AGENTS; PREVENTING CYTOPENIA | TORAY INDUSTRIES, INC. (JP) | 2001-04-10 | — | — | US | disclosed |
| EP-0841063-A1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 1998-05-13 | — | — | EP | disclosed |