Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | METAP2 | P50579 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | HPN | P05981 | 2/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Cyclohexylglycyl SCHEMBL3574344 | 0.84 | ADORA3 (0.46) | ALDH1A1TSHRCYP3A4ADORA3HSD17B10 | |
| Cyclohexylglycyl SCHEMBL3568680 | 0.84 | ADORA3 (0.46) | ALDH1A1TSHRCYP3A4ADORA3HSD17B10 | |
| SCHEMBL11059579 | 0.82 | ALDH1A1 (0.47) | ALDH1A1TSHRCYP3A4ADORA3HSD17B10 | |
| Cyclohexylamine SCHEMBL11787101 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP3A4ADORA3HSD17B10 | |
| Cyclopropane SCHEMBL2101355 | 0.80 | GAA (0.54) | ALDH1A1TSHRCYP3A4HSD17B10HTT | |
| Cyclohexane SCHEMBL27563472 | 0.80 | GAA (0.54) | ALDH1A1TSHRCYP3A4HSD17B10HTT | |
| SCHEMBL631325 | 0.80 | ALDH1A1 (0.61) | ALDH1A1TSHRCYP3A4ADORA3HSD17B10 | |
| Cyclohexanol SCHEMBL1553521 | 0.79 | ALDH1A1 (0.51) | ALDH1A1TSHRCYP3A4ADORA3HSD17B10 | |
| SCHEMBL1274859 | 0.78 | CYP2D6 (0.51) | ALDH1A1TSHRCYP3A4HTTCYP2D6 | |
| Cyclohexane SCHEMBL11865661 | 0.78 | CA1 (0.56) | ALDH1A1TSHRCYP3A4HSD17B10HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0333000-B1 | PEPTIDES WITH INHIBITORY ACTIVITY OF ENZYMATIC SYSTEMS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ZAMBON GROUP S.p.A. (IT) | 1993-05-19 | — | — | EP | disclosed |
| US-5145872-A | PEPTIDES WITH PHARMACEUTICAL ACTIVITY | ZAMBON GROUP, S.P.A. (IT) | 1992-09-08 | — | — | US | disclosed |
| EP-0333000-A2 | Peptides with inhibitory activity of enzymatic systems, process for their preparation and pharmaceutical compositions containing them | ZAMBON GROUP S.p.A. (IT) | 1989-09-20 | — | — | EP | disclosed |