Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Isoleucine. 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 | |
|---|---|---|---|---|
| ▸ | SLC1A3 | P43003 | 1/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.50 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 5/20 | 0.45 |
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.42 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.42 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP7 | P09237 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Isoleucine SCHEMBL7996786 | 1.00 | SLC1A3 (0.50) | SLC1A3SLC1A2SLC1A1CA2CA1 | |
| Isoleucine SCHEMBL28869867 | 1.00 | SLC1A3 (0.50) | SLC1A3SLC1A2SLC1A1CA2CA1 | |
| Isoleucine SCHEMBL28279528 | 0.99 | SLC1A3 (0.49) | SLC1A3SLC1A2SLC1A1CA2CA1 | |
| Isoleucine SCHEMBL8048122 | 0.87 | CA2 (0.44) | SLC1A3SLC1A2SLC1A1CA2CA1 | |
| Isoleucine SCHEMBL8036374 | 0.87 | CA2 (0.44) | SLC1A3SLC1A2SLC1A1CA2CA1 | |
| Isoleucine SCHEMBL8036378 | 0.87 | CA2 (0.44) | SLC1A3SLC1A2SLC1A1CA2CA1 | |
| Isoleucine SCHEMBL8047310 | 0.87 | CA2 (0.44) | SLC1A3SLC1A2SLC1A1CA2CA1 | |
| Isoleucine SCHEMBL8047805 | 0.87 | CA2 (0.44) | SLC1A3SLC1A2SLC1A1CA2CA1 | |
| Valine SCHEMBL5159688 | 0.84 | SLC1A3 (0.55) | SLC1A3SLC1A2SLC1A1CA2CA1 | |
| Valine SCHEMBL2295611 | 0.84 | SLC1A3 (0.55) | SLC1A3SLC1A2SLC1A1CA2CA1 |
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-1028126-A1 | DEPSIPEPTIDE DERIVATIVES BEARING PIPERAZINONE RINGS | Nisshin Flour Milling Co., Ltd. (JP) | 2000-08-16 | — | — | EP | disclosed |