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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9325001 | 0.87 | TSHR (0.43) | TSHRL3MBTL1MEN1KMT2AGAA | |
| SCHEMBL9332294 | 0.87 | TSHR (0.43) | TSHRL3MBTL1MEN1KMT2AGAA | |
| SCHEMBL10658232 | 0.87 | TSHR (0.43) | TSHRL3MBTL1MEN1KMT2AGAA | |
| SCHEMBL9363927 | 0.87 | TSHR (0.43) | TSHRL3MBTL1MEN1KMT2AGAA | |
| SCHEMBL10651045 | 0.87 | TSHR (0.43) | TSHRL3MBTL1MEN1KMT2AGAA | |
| SCHEMBL16456645 | 0.87 | TSHR (0.43) | TSHRL3MBTL1MEN1KMT2AGAA | |
| Hydrochloric Acid SCHEMBL9332700 | 0.86 | TSHR (0.44) | TSHRMEN1KMT2AGAASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11011043 | 0.86 | TSHR (0.44) | TSHRMEN1KMT2AGAASMN1; SMN2 | |
| SCHEMBL10917287 | 0.86 | TSHR (0.42) | TSHRMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL10508458 | 0.86 | TSHR (0.42) | TSHRMEN1KMT2ASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0328160-B1 | Amino acid derivatives, process to prepare them, composition containing them and their use | HOECHST AG (DE) | 1994-05-04 | — | — | EP | disclosed |
| EP-0328160-A1 | Amino acid derivatives, process to prepare them, composition containing them and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-08-16 | — | — | EP | disclosed |