Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Pantethine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | VNN1 | O95497 | 13/20 | 0.49 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CHAT | P28329 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Pantethine SCHEMBL19544641 | 0.97 | PTGS1 (0.56) | PTGS1KCNH2VNN1ZDHHC20ALDH1A1 | |
| Pantethine SCHEMBL1650348 | 0.97 | PTGS1 (0.56) | PTGS1KCNH2VNN1ZDHHC20ALDH1A1 | |
| Pantethine SCHEMBL59597 | 0.97 | PTGS1 (0.56) | PTGS1KCNH2VNN1ZDHHC20ALDH1A1 | |
| Pantethine SCHEMBL8416070 | 0.96 | PTGS1 (0.55) | PTGS1KCNH2VNN1ZDHHC20ALDH1A1 | |
| Pantethine SCHEMBL19358994 | 0.96 | PTGS1 (0.55) | PTGS1KCNH2VNN1ZDHHC20ALDH1A1 | |
| Pantethine SCHEMBL19359043 | 0.96 | PTGS1 (0.55) | PTGS1KCNH2VNN1ZDHHC20ALDH1A1 | |
| SCHEMBL25747324 | 0.95 | PTGS1 (0.51) | PTGS1KCNH2VNN1ZDHHC20ALDH1A1 | |
| SCHEMBL18314794 | 0.95 | PTGS1 (0.51) | PTGS1KCNH2VNN1ZDHHC20ALDH1A1 | |
| Pantethine SCHEMBL9115760 | 0.94 | PTGS1 (0.54) | PTGS1KCNH2VNN1ZDHHC20ALDH1A1 | |
| Pantethine SCHEMBL8416043 | 0.93 | PTGS1 (0.52) | PTGS1KCNH2VNN1ZDHHC20ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995011673-A1 | COMPOUNDS AND METHODS FOR TREATING SICKLE CELL ANEMIA | OCULON CORPORATION (US) | 1995-05-04 | — | — | WO | disclosed |
| WO-1995011884-A1 | COMPOUNDS AND METHODS FOR INHIBITING CATARACT FORMATION | OCULON CORPORATION (US) | 1995-05-04 | — | — | WO | disclosed |