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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | ACR | P10323 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.35 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9024757 | 1.00 | MEN1 (0.38) | MEN1KMT2APDE5ACYP2D6LMNA | |
| SCHEMBL9024732 | 1.00 | MEN1 (0.38) | MEN1KMT2APDE5ACYP2D6LMNA | |
| SCHEMBL9371462 | 0.94 | CYP2D6 (0.41) | CYP2D6LMNAALDH1A1POLBHTT | |
| SCHEMBL9025005 | 0.94 | CYP2D6 (0.41) | CYP2D6LMNAALDH1A1POLBHTT | |
| SCHEMBL9024998 | 0.94 | CYP2D6 (0.41) | CYP2D6LMNAALDH1A1POLBHTT | |
| SCHEMBL9024986 | 0.94 | CYP2D6 (0.41) | CYP2D6LMNAALDH1A1POLBHTT | |
| SCHEMBL8099509 | 0.88 | NPSR1 (0.42) | MEN1KMT2ACYP2D6LMNAALDH1A1 | |
| SCHEMBL8099513 | 0.88 | NPSR1 (0.42) | MEN1KMT2ACYP2D6LMNAALDH1A1 | |
| SCHEMBL8099501 | 0.88 | NPSR1 (0.42) | MEN1KMT2ACYP2D6LMNAALDH1A1 | |
| SCHEMBL9025532 | 0.87 | USP2 (0.40) | MEN1KMT2ACYP2D6ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0600952-B1 | AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK SHARP & DOHME (GB) | 1996-04-17 | — | — | EP | disclosed |
| US-5459270-A | Tachykinin antagonist for central nervous systum disorders and cardiovascular disorders | MERCK SHARP & DOHME LIMITED (GB) | 1995-10-17 | — | — | US | disclosed |
| WO-1993004040-A1 | AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK SHARP & DOHME LIMITED (GB) | 1993-03-04 | — | — | WO | disclosed |
| EP-0528495-A1 | Azacyclic compounds, processes for their preparation and pharmaceutical compositions containing them | MERCK SHARP & DOHME LTD. (GB) | 1993-02-24 | — | — | EP | disclosed |