Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 5/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | ACP1 | P24666 | 2/20 | 0.35 |
| ▸ | CDC25B | P30305 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.34 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | PRKCA | P17252 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Methyl Nonyl Ketone SCHEMBL28005203 | 0.67 | CES2 (0.62) | PTPN1KMT2AMEN1ALDH1A1 | |
| SCHEMBL28077374 | 0.67 | CES2 (0.62) | PTPN1KMT2AMEN1ALDH1A1 | |
| SCHEMBL38665546 | 0.66 | OTUD7B (0.39) | — | |
| 2-Nonanone SCHEMBL22497634 | 0.65 | CES2 (0.59) | PTPN1KMT2AMEN1ALDH1A1 | |
| SCHEMBL24005728 | 0.65 | CES2 (0.65) | PTPN1KMT2AMEN1ALDH1A1 | |
| 2-Nonanone SCHEMBL4562318 | 0.65 | CES2 (0.65) | PTPN1KMT2AMEN1ALDH1A1 | |
| SCHEMBL11144661 | 0.65 | CES2 (0.65) | PTPN1KMT2AMEN1ALDH1A1 | |
| SCHEMBL21044722 | 0.65 | CES2 (0.65) | PTPN1KMT2AMEN1ALDH1A1 | |
| 2-Tridecanone SCHEMBL19838551 | 0.65 | CES2 (0.65) | PTPN1KMT2AMEN1ALDH1A1 | |
| 2-Dodecanone SCHEMBL23501396 | 0.65 | CES2 (0.65) | PTPN1KMT2AMEN1ALDH1A1 |
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-2686299-A1 | SEC-HYDROXYCYCLOHEXYL DERIVATIVES AS HSL INHIBITORS FOR THE TREATMENT DIABETES | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-22 | — | — | EP | disclosed |
| WO-2012123432-A1 | SEC-HYDROXYCYCLOHEXYL DERIVATIVES AS HSL INHIBITORS FOR THE TREATMENT DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-20 | — | — | WO | disclosed |