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 | |
|---|---|---|---|---|
| ▸ | JAK3 known ✓ | P52333 | 1/20 | 0.39 |
| ▸ | BTK known ✓ | Q06187 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | PPARG | P37231 | 4/20 | 0.45 |
| ▸ | PPARA | Q07869 | 4/20 | 0.45 |
| ▸ | TGM2 | P21980 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | MMP13 | P45452 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7977315 | 1.00 | ALDH1A1 (0.61) | ALDH1A1TSHRPPARGPPARATGM2 | |
| SCHEMBL7963488 | 0.86 | ALDH1A1 (0.51) | ALDH1A1TSHRPPARGPPARATGM2 | |
| SCHEMBL7974823 | 0.86 | ALDH1A1 (0.47) | ALDH1A1TSHRPPARGPPARATGM2 | |
| SCHEMBL3726205 | 0.81 | ALDH1A1 (0.89) | ALDH1A1TSHRPPARGPPARATGM2 | |
| SCHEMBL7977035 | 0.78 | ALDH1A1 (0.38) | ALDH1A1TSHRPPARGPPARACA2 | |
| SCHEMBL10531805 | 0.78 | ALDH1A1 (0.68) | ALDH1A1TSHRPPARGPPARATGM2 | |
| SCHEMBL4986311 | 0.78 | ALDH1A1 (0.83) | ALDH1A1TSHRPPARGPPARACA2 | |
| SCHEMBL27041698 | 0.76 | ALDH1A1 (0.62) | ALDH1A1TSHRPPARGPPARATGM2 | |
| SCHEMBL27041695 | 0.76 | ALDH1A1 (0.62) | ALDH1A1TSHRPPARGPPARATGM2 | |
| SCHEMBL8197164 | 0.75 | ALDH1A1 (0.40) | ALDH1A1TSHRPPARGPPARAMMP13 |
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-2001005748-A1 | OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | MONSANTO COMPANY (US) | 2001-01-25 | — | — | WO | disclosed |