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 | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 8/20 | 0.48 |
| ▸ | MGAM | O43451 | 7/20 | 0.48 |
| ▸ | AMY1A | P0DUB6 | 7/20 | 0.48 |
| ▸ | SI | P14410 | 7/20 | 0.48 |
| ▸ | MGAM2 | Q2M2H8 | 7/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | F12 | P00748 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | MIF | P14174 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2298377 | 0.89 | SLC9A1 (0.53) | SLC9A1GAAMGAMAMY1ASI | |
| SCHEMBL443991 | 0.82 | GAA (0.64) | SLC9A1GAAMGAMAMY1ASI | |
| SCHEMBL11077694 | 0.81 | POLB (0.60) | SLC9A1GAAMGAMAMY1ASI | |
| SCHEMBL16706437 | 0.74 | MGAM (0.77) | SLC9A1GAAMGAMAMY1ASI | |
| SCHEMBL24019555 | 0.73 | KCNMA1 (0.59) | GAAMGAMAMY1ASIMGAM2 | |
| Phenazine SCHEMBL29879113 | 0.72 | KDM4E (0.58) | SLC9A1GAAKMT2AHPGDSMN1; SMN2 | |
| Phenazine SCHEMBL29609188 | 0.72 | KDM4E (0.58) | SLC9A1GAAKMT2AHPGDSMN1; SMN2 | |
| SCHEMBL28915566 | 0.72 | GAA (0.52) | SLC9A1GAAMGAMAMY1ASI | |
| Urea SCHEMBL11794762 | 0.72 | ALDH1A1 (0.57) | GAAF2SMN1; SMN2MAPTTSHR | |
| SCHEMBL7746353 | 0.71 | SLC9A1 (1.00) | SLC9A1GAAKMT2AHPGDSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105408344-B | Peptide-resin conjugates and uses thereof | 佩特雷化学和生物制药学实验室有限公司 | 2020-08-11 | — | — | CN | disclosed |
| US-8350077-B2 | Amides of creatine, method of their preparation, and remedy possessing a neuroprotective activity | VERTEX CLOSED JOINT STOCK COMPANY (RU) | 2013-01-08 | — | — | US | disclosed |
| US-20110269986-A1 | AMIDES OF CREATNE, METHOD OF THEIR PREPARATION, AND REMEDY POSSESSING A NEUROPROTECTIVE ACTIVITY | AMIDE BEVERAGE COMPANY, LLC | 2011-11-03 | — | — | US | disclosed |