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 | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | STAT5B | P51692 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL7355457 | 0.80 | TSHR (0.39) | CTSKTLR9LMNAALDH1A1TSHR | |
| SCHEMBL7355451 | 0.80 | TSHR (0.39) | CTSKTLR9LMNAALDH1A1TSHR | |
| SCHEMBL8364527 | 0.77 | CTSK (0.53) | CTSKTLR9LMNAALDH1A1TSHR | |
| SCHEMBL9632721 | 0.71 | CYP1A2 (0.45) | LMNAALDH1A1TSHRCYP2D6MAPK1 | |
| SCHEMBL932442 | 0.70 | SMN1; SMN2 (0.73) | LMNAALDH1A1TSHRCYP2D6MAPK1 | |
| SCHEMBL13836876 | 0.70 | SMN1; SMN2 (0.73) | LMNAALDH1A1TSHRCYP2D6MAPK1 | |
| SCHEMBL1517741 | 0.70 | CYP1A2 (0.43) | LMNAALDH1A1TSHRCYP2D6MAPK1 | |
| SCHEMBL7366081 | 0.69 | STAT3 (0.42) | LMNAALDH1A1SMN1; SMN2GAANR1D1 | |
| SCHEMBL7887202 | 0.69 | CA1 (0.45) | CTSKTLR9 | |
| Water SCHEMBL14660542 | 0.68 | SMN1; SMN2 (0.70) | LMNAALDH1A1TSHRCYP2D6MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6287840-B1 | PEPTIDOMIMETICS; COUPLING, DEBLOCKING; ANTIARTHRITIC, ANTITUMOR, ANTICARCINOGENIC, AND ANTIMETASTASIS AGENTS; MUSCULAR DYSTROPHY, GLOMERULONEPHRITIS, MALARIA, ALZHEIMER*S DISEASE | AXYS PHARMACEUTICALS, INC. | 2001-09-11 | — | — | US | disclosed |