Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | ABHD16A | O95870 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
| ▸ | ACP1 | P24666 | 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 | |
|---|---|---|---|---|
| SCHEMBL5406832 | 0.80 | CES2 (0.38) | CES2ABHD16AMAOBGRM2CYP1A2 | |
| Oxalic Acid SCHEMBL31339542 | 0.71 | POLB (0.39) | CES2ABHD16AGRM2ALDH1A1CYP2C9 | |
| SCHEMBL504239 | 0.71 | — | — | |
| SCHEMBL27502132 | 0.71 | GRM2 (0.45) | CES2ABHD16AGRM2PPARGALDH1A1 | |
| SCHEMBL28740355 | 0.71 | CES2 (0.34) | CES2ABHD16AMAOBLMNAPTPN1 | |
| SCHEMBL698437 | 0.69 | CYP1A2 (0.38) | CES2ABHD16AMAOBGRM2CYP1A2 | |
| SCHEMBL11732146 | 0.69 | MEN1 (0.33) | CES2ABHD16AALDH1A1LMNAMAPK1 | |
| SCHEMBL27521473 | 0.69 | CES2 (0.52) | CES2ABHD16AMAOBCDC25BDUSP3 | |
| SCHEMBL9069823 | 0.68 | PPARG (0.49) | GRM2CYP1A2PPARGALDH1A1 | |
| SCHEMBL10424176 | 0.68 | PPARG (0.49) | GRM2CYP1A2PPARGALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-1194580-A | Ketone derivatives and medical use thereof | TORAY INDUSTRIES (JP) | 1998-09-30 | — | — | CN | disclosed |
| EP-0841063-A1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 1998-05-13 | — | — | EP | disclosed |