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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4200394 | 0.88 | CA12 (0.54) | KMT2ACYP1A2CA12CA9CYP3A4 | |
| SCHEMBL29803178 | 0.83 | CA12 (0.58) | KMT2ACYP1A2CA12CA9CYP3A4 | |
| SCHEMBL717052 | 0.83 | MEN1 (0.50) | KMT2AATML3MBTL1MAPTSMN1; SMN2 | |
| SCHEMBL19401273 | 0.83 | MEN1 (0.50) | KMT2AATML3MBTL1MAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2840965 | 0.81 | MEN1 (0.49) | KMT2ACYP3A4ATMMAPTSMN1; SMN2 | |
| SCHEMBL6811685 | 0.81 | KMT2A (0.50) | KMT2AATMSMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL13731468 | 0.80 | MAPT (0.52) | KMT2ACYP1A2CA12CA9CYP3A4 | |
| N-Benzylmethylamine SCHEMBL20239926 | 0.79 | CYP3A4 (0.59) | KMT2ACYP1A2CA12CA9CYP3A4 | |
| SCHEMBL28338890 | 0.77 | L3MBTL1 (0.58) | KMT2ACYP1A2CA12CA9CYP3A4 | |
| SCHEMBL11624179 | 0.77 | LMNA (0.53) | KMT2AMAPTLMNAALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115583903-B | Method for rapidly preparing racecadotril | 湖北广辰药业有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-115583903-A | Method for rapidly preparing racecadotril | 湖北广辰药业有限公司 | 2023-01-10 | — | — | CN | disclosed |