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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.37 |
| ▸ | DRD4 | P21917 | 3/20 | 0.37 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | KIF11 | P52732 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19409585 | 0.89 | MGLL (0.42) | SLC6A4SIGMAR1DRD4BCHEACHE | |
| SCHEMBL27144502 | 0.84 | BCHE (0.48) | SLC6A4BCHEACHEKCNH2CYP2D6 | |
| SCHEMBL30945179 | 0.82 | CYP2D6 (0.38) | SLC6A4SIGMAR1TMEM97DRD4BCHE | |
| SCHEMBL23148927 | 0.82 | IDO1 (0.41) | SLC6A4CYP2D6SLC6A2SLC6A3 | |
| SCHEMBL27154213 | 0.80 | BCHE (0.52) | SLC6A4BCHEACHEKCNH2CYP2D6 | |
| SCHEMBL19409529 | 0.80 | L3MBTL1 (0.42) | SLC6A4SIGMAR1TMEM97DRD4CYP2D6 | |
| SCHEMBL19409557 | 0.80 | IDO1 (0.40) | SLC6A4BCHEACHEKCNH2CYP2D6 | |
| SCHEMBL30568011 | 0.78 | KIF11 (0.40) | TMEM97DRD4KCNH2KIF11CYP2D6 | |
| SCHEMBL21381672 | 0.78 | KIF11 (0.40) | TMEM97DRD4KCNH2KIF11CYP2D6 | |
| SCHEMBL25325372 | 0.78 | CYP2D6 (0.35) | KCNH2CYP2D6 |
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-20240199587-A1 | HETEROCYCLIC COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2024-06-20 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20240199587-A1 | HETEROCYCLIC COMPOUNDS | CYP1B1, CYP1A1, CYP4B1 | SLC6A4 4134/4885SIGMAR1 1027/4885TMEM97 3325/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.