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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 3/20 | 0.44 |
| ▸ | FAP | Q12884 | 1/20 | 0.44 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.44 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.44 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21925707 | 0.79 | GAA (0.50) | NPC1RAB9AALDH1A1POLBACHE | |
| SCHEMBL21925706 | 0.79 | GAA (0.50) | NPC1RAB9AALDH1A1POLBACHE | |
| SCHEMBL25386940 | 0.78 | DPP4 (0.55) | DPP4FAPDPP8DPP9DPP7 | |
| SCHEMBL15129602 | 0.78 | DPP4 (0.55) | DPP4FAPDPP8DPP9DPP7 | |
| SCHEMBL30135566 | 0.78 | DPP4 (0.55) | DPP4FAPDPP8DPP9DPP7 | |
| SCHEMBL15129601 | 0.78 | DPP4 (0.55) | DPP4FAPDPP8DPP9DPP7 | |
| SCHEMBL15129725 | 0.77 | DPP4 (0.68) | DPP4FAPDPP8DPP9DPP7 | |
| SCHEMBL15129726 | 0.77 | DPP4 (0.68) | DPP4FAPDPP8DPP9DPP7 | |
| SCHEMBL31504480 | 0.76 | CYP2D6 (0.49) | CYP2D6NPC1RAB9AALDH1A1ACHE | |
| SCHEMBL5217383 | 0.74 | CYP2D6 (0.42) | CYP2D6NPC1RAB9AALDH1A1POLB |
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-1406873-A2 | FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-04-14 | — | — | EP | disclosed |
| WO-2003002531-A2 | FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-01-09 | — | — | WO | disclosed |