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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | NT5E | P21589 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 4/20 | 0.49 |
| ▸ | CA1 | P00915 | 4/20 | 0.49 |
| ▸ | CA2 | P00918 | 4/20 | 0.49 |
| ▸ | CA9 | Q16790 | 4/20 | 0.49 |
| ▸ | CA4 | P22748 | 2/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL28958523 | 0.92 | TSHR (0.69) | ALDH1A1TSHRNT5ECA12CA1 | |
| SCHEMBL8421197 | 0.86 | TSHR (0.78) | ALDH1A1TSHRNT5ECA12CA1 | |
| SCHEMBL11782818 | 0.86 | TSHR (0.78) | ALDH1A1TSHRNT5ECA12CA1 | |
| SCHEMBL11821857 | 0.86 | TSHR (0.78) | ALDH1A1TSHRNT5ECA12CA1 | |
| SCHEMBL15326125 | 0.84 | TSHR (0.58) | ALDH1A1TSHRNT5ECA12CA1 | |
| SCHEMBL28958513 | 0.83 | TSHR (0.57) | ALDH1A1TSHRNT5ECA12CA1 | |
| Propyne SCHEMBL28767946 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TSHRNT5ECA12CA1 | |
| SCHEMBL8457900 | 0.82 | CA12 (0.61) | ALDH1A1TSHRNT5ECA12CA1 | |
| SCHEMBL10749800 | 0.80 | GAA (0.52) | ALDH1A1TSHRNT5ECA12CA1 | |
| SCHEMBL5422817 | 0.80 | GAA (0.52) | ALDH1A1TSHRNT5ECA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-9136865-A | — | — | None | — | — | JP | disclosed |
| JP-H09136865-A | ACID ADDITION SALT OF 4-AMINOPHENYLACETYLENE COMPOUND | FUJI PHOTO FILM CO LTD | 1997-05-27 | — | — | JP | disclosed |