Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | HSD17B14 | Q9BPX1 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | TDO2 | P48775 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30817696 | 0.84 | ALDH1A1 (0.52) | CES2CES1HSD17B14ALDH1A1IDO1 | |
| SCHEMBL7452171 | 0.78 | VNN1 (0.46) | CES2CES1LCKFYNDAO | |
| SCHEMBL6961496 | 0.77 | KMT2A (0.47) | CES2CES1HDAC1LCKFYN | |
| SCHEMBL7447786 | 0.77 | ALDH1A1 (0.73) | ALDH1A1RAB9AHPGDCYP1A2CYP2D6 | |
| SCHEMBL2166098 | 0.76 | CES2 (0.71) | CES2CES1HDAC1LCKFYN | |
| SCHEMBL7752908 | 0.76 | HPGD (0.58) | HDAC1HSD17B14ALDH1A1IDO1TDO2 | |
| SCHEMBL6956689 | 0.75 | CES2 (0.54) | CES2CES1HDAC1LCKFYN | |
| SCHEMBL17100305 | 0.75 | CES2 (0.54) | CES2CES1HDAC1LCKFYN | |
| SCHEMBL17100193 | 0.73 | PARP1 (0.50) | CES2CES1HDAC1LCKFYN | |
| SCHEMBL20448559 | 0.72 | SRD5A2 (0.55) | CES2CES1HDAC1LCKFYN |
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-20170001990-A1 | PIPERIDINE-DIONE DERIVATIVES | GENENTECH, INC. (US) | 2017-01-05 | — | — | US | disclosed |
| US-20170001990-A1 | PIPERIDINE-DIONE DERIVATIVES | GENENTECH, INC. (US) | 2017-01-05 | — | — | US | disclosed |
| WO-2015142903-A2 | METHOD OF CONTROLLING LACTATE PRODUCTION WITH PIPERDINE-DIONE DERIVATIVES | GENENTECH, INC. (US) | 2015-09-24 | — | — | WO | disclosed |
| WO-2015140133-A1 | PIPERIDINE-DIONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-09-24 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170001990-A1 | PIPERIDINE-DIONE DERIVATIVES | DRD4, ADORA1, ADORA3 | CES2 1790/4885CES1 3046/4885HDAC1 1257/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.