Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of D-Alanine. 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 | 0.51 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.51 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | MMP9 | P14780 | 3/20 | 0.46 |
| ▸ | MMP1 | P03956 | 2/20 | 0.46 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | MMP13 | P45452 | 2/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | MMP7 | P09237 | 1/20 | 0.46 |
| ▸ | SNCA | P37840 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Alanine SCHEMBL723059 | 1.00 | SLC1A3 (0.51) | SLC1A3SLC1A2SLC1A1CYP2D6MAPK1 | |
| Alanine SCHEMBL3254315 | 1.00 | SLC1A3 (0.51) | SLC1A3SLC1A2SLC1A1CYP2D6MAPK1 | |
| SCHEMBL30513488 | 0.89 | CYP2D6 (0.50) | SLC1A3SLC1A2SLC1A1CYP2D6MAPK1 | |
| Isopropylamine SCHEMBL2350740 | 0.88 | CYP2D6 (0.53) | SLC1A3SLC1A2SLC1A1CYP2D6MAPK1 | |
| Valine SCHEMBL2295611 | 0.88 | SLC1A3 (0.55) | SLC1A3SLC1A2SLC1A1CYP2D6MAPK1 | |
| Valine SCHEMBL5159688 | 0.88 | SLC1A3 (0.55) | SLC1A3SLC1A2SLC1A1CYP2D6MAPK1 | |
| Lactic Acid SCHEMBL2447119 | 0.87 | CYP2D6 (0.49) | SLC1A3SLC1A2SLC1A1CYP2D6MAPK1 | |
| SCHEMBL1274859 | 0.86 | CYP2D6 (0.51) | SLC1A3SLC1A2SLC1A1CYP2D6MAPK1 | |
| Threonine SCHEMBL18075540 | 0.86 | SLC1A3 (0.54) | SLC1A3SLC1A2SLC1A1CYP2D6MAPK1 | |
| Alanine SCHEMBL10627958 | 0.85 | TSHR (0.64) | SLC1A3SLC1A2SLC1A1CYP2D6MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010136778-A1 | DIBENZOTHIOPHENE DERIVATIVES AS DNA- PK INHIBITORS | KUDOS PHARMACEUTICALS LIMITED (GB) | 2010-12-02 | — | — | WO | disclosed |