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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.72 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.72 |
| ▸ | SLC6A9 | P48067 | 11/20 | 0.61 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.51 |
| ▸ | KCNK2 | O95069 | 2/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.51 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | MTOR | P42345 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL679320 | 0.85 | SLC6A4 (1.00) | SLC6A4HRH3SLC6A9SLC6A2SLC6A3 | |
| SCHEMBL29700710 | 0.85 | SLC6A4 (1.00) | SLC6A4HRH3SLC6A9SLC6A2SLC6A3 | |
| SCHEMBL7307681 | 0.84 | SLC6A4 (0.48) | SLC6A4HRH3SLC6A9 | |
| Oxalic Acid SCHEMBL7317614 | 0.84 | SLC6A4 (0.88) | SLC6A4HRH3SLC6A9SLC6A2SLC6A3 | |
| SCHEMBL17549671 | 0.84 | SLC6A4 (0.78) | SLC6A4HRH3SLC6A9SLC6A2SLC6A3 | |
| SCHEMBL685134 | 0.80 | SLC6A4 (0.70) | SLC6A4HRH3SLC6A9SLC6A2HTR2A | |
| Oxalic Acid SCHEMBL5142654 | 0.79 | SLC6A9 (0.68) | SLC6A4HRH3SLC6A9 | |
| SCHEMBL6828424 | 0.79 | SLC6A9 (0.86) | SLC6A4HRH3SLC6A9CYP2D6CYP2C19 | |
| SCHEMBL21034466 | 0.79 | SLC6A4 (0.73) | SLC6A4HRH3SLC6A9SLC6A2SLC6A3 | |
| SCHEMBL13080691 | 0.78 | SLC6A9 (0.64) | SLC6A4HRH3SLC6A9SLC6A2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000021917-A1 | PHARMACEUTICAL INTERMEDIATE FOR THE SYNTHESIS OF FLUOXETINE AND A PROCESS FOR THE PREPARATION THEREOF | EGIS Gyógyszergyár Rt. (HU) | 2000-04-20 | — | — | WO | claimed |
| WO-2000021917-A1 | PHARMACEUTICAL INTERMEDIATE FOR THE SYNTHESIS OF FLUOXETINE AND A PROCESS FOR THE PREPARATION THEREOF | EGIS Gyógyszergyár Rt. (HU) | 2000-04-20 | — | — | WO | disclosed |
| WO-2000021917-A1 | PHARMACEUTICAL INTERMEDIATE FOR THE SYNTHESIS OF FLUOXETINE AND A PROCESS FOR THE PREPARATION THEREOF | EGIS Gyógyszergyár Rt. (HU) | 2000-04-20 | — | — | WO | disclosed |