Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 7/20 | 0.65 |
| ▸ | ANPEP | P15144 | 6/20 | 0.65 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.50 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | TYMS | P04818 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL11016732 | 0.97 | DPP4 (0.65) | DPP4ANPEPNR1H2NR1H3CTDSP1 | |
| SCHEMBL11018241 | 0.97 | DPP4 (0.65) | DPP4ANPEPNR1H2NR1H3CTDSP1 | |
| SCHEMBL11016351 | 0.97 | DPP4 (0.65) | DPP4ANPEPNR1H2NR1H3CTDSP1 | |
| Tetrabuthylammonium SCHEMBL11018749 | 0.87 | DPP4 (0.53) | DPP4ANPEPNR1H2NR1H3KMT2A | |
| SCHEMBL11017617 | 0.86 | DPP4 (0.68) | DPP4ANPEPNR1H2NR1H3CTDSP1 | |
| SCHEMBL10878219 | 0.86 | DPP4 (0.68) | DPP4ANPEPNR1H2NR1H3CTDSP1 | |
| SCHEMBL11017926 | 0.86 | DPP4 (0.64) | DPP4ANPEPNR1H2NR1H3KMT2A | |
| SCHEMBL11021461 | 0.86 | DPP4 (0.64) | DPP4ANPEPNR1H2NR1H3KMT2A | |
| SCHEMBL11023647 | 0.85 | DPP4 (0.67) | DPP4ANPEPNR1H2NR1H3CTDSP1 | |
| SCHEMBL11017671 | 0.85 | DPP4 (0.67) | DPP4ANPEPNR1H2NR1H3CTDSP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0152021-A2 | Phthalimide derivatives, their preparation and their use as agricultural fungicides | SANKYO COMPANY LIMITED (JP) | 1985-08-21 | — | — | EP | disclosed |