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 | |
|---|---|---|---|---|
| ▸ | PARP2 known ✓ | Q9UGN5 | 2/20 | 0.40 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.40 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.40 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.40 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.40 |
| ▸ | PARP12 | Q9H0J9 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11747896 | 0.81 | CHEK1 (0.64) | ALDH1A1CHEK1PDGFRACDK5DYRK1A | |
| SCHEMBL11534080 | 0.73 | PARP2 (0.55) | ALDH1A1CHEK1PDGFRACDK5DYRK1A | |
| SCHEMBL11536264 | 0.70 | PARP10 (0.73) | CHEK1PDGFRACDK5DYRK1ALRRK2 | |
| SCHEMBL9098356 | 0.68 | TDP1 (0.54) | ALDH1A1L3MBTL1KDM4EMAPTSMN1; SMN2 | |
| Toluene SCHEMBL180606 | 0.67 | SMN1; SMN2 (0.65) | ALDH1A1L3MBTL1HPGDRECQLKDM4E | |
| SCHEMBL932442 | 0.67 | SMN1; SMN2 (0.73) | ALDH1A1L3MBTL1HPGDRECQLKDM4E | |
| SCHEMBL13836876 | 0.67 | SMN1; SMN2 (0.73) | ALDH1A1L3MBTL1HPGDRECQLKDM4E | |
| Ethylene SCHEMBL28596290 | 0.67 | GAA (0.56) | ALDH1A1L3MBTL1KDM4EMAPTSMN1; SMN2 | |
| Ethylene SCHEMBL28823818 | 0.67 | GAA (0.56) | ALDH1A1L3MBTL1KDM4EMAPTSMN1; SMN2 | |
| Ethylene SCHEMBL3690345 | 0.67 | GAA (0.56) | ALDH1A1L3MBTL1KDM4EMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4064261-A | TRIAZOLOBENOXAZOLE, TRIAZOLOBENZOTHIAZOLE COMPOUNDS | ELI LILLY AND COMPANY (US) | 1977-12-20 | — | — | US | disclosed |