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 | |
|---|---|---|---|---|
| ▸ | RET known ✓ | P07949 | 3/20 | 0.57 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.38 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 6/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.57 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.57 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.57 |
| ▸ | HTR1A | P08908 | 2/20 | 0.57 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.57 |
| ▸ | DRD2 | P14416 | 2/20 | 0.57 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.57 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL11526672 | 1.00 | LMNA (0.57) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 | |
| Nortriptyline SCHEMBL28666577 | 0.91 | LMNA (0.68) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 | |
| SCHEMBL11524402 | 0.86 | LMNA (0.76) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 | |
| SCHEMBL11524405 | 0.86 | LMNA (0.76) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL11526602 | 0.85 | LMNA (0.77) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL11526607 | 0.85 | LMNA (0.77) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 | |
| Nortriptyline SCHEMBL1286980 | 0.75 | SLC6A2 (1.00) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 | |
| Nortriptyline SCHEMBL34527 | 0.75 | SLC6A2 (1.00) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 | |
| Nortriptyline SCHEMBL29362430 | 0.75 | SLC6A2 (1.00) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 | |
| Nortriptyline SCHEMBL7158809 | 0.74 | SLC6A2 (0.97) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4136116-A | ANTIDEPRESSANTS | HOFFMANN-LA ROCHE INC. (US) | 1979-01-23 | — | — | US | disclosed |
| US-3952017-A | 5-HYDROXY-5-(METHYL OR ALKYLMETHYL-AMINOPROPYL)- 5H-DIBENZO(A,D)CYCLOHEPTENES, ANTIDEPRESSANT | HOFFMANN-LA ROCHE INC. (US) | 1976-04-20 | — | — | US | disclosed |