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 | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2498309 | 0.87 | CYP2D6 (0.41) | CYP2D6CYP1A2CYP2C9MMP13KMT2A | |
| SCHEMBL17234602 | 0.77 | GABRR1 (0.42) | KMT2AMEN1SMN1; SMN2MAPK1 | |
| SCHEMBL21483550 | 0.77 | GABRR1 (0.42) | KMT2AMEN1SMN1; SMN2MAPK1 | |
| SCHEMBL18541279 | 0.77 | GABRR1 (0.42) | KMT2AMEN1SMN1; SMN2MAPK1 | |
| SCHEMBL9632713 | 0.76 | MEN1 (0.44) | CYP2D6CYP1A2CYP2C9KMT2AMEN1 | |
| SCHEMBL23883078 | 0.75 | CYP2D6 (0.47) | CYP2D6CYP1A2CYP2C9MMP13ALDH1A1 | |
| SCHEMBL1893070 | 0.75 | CYP2D6 (0.47) | CYP2D6CYP1A2CYP2C9MMP13ALDH1A1 | |
| SCHEMBL1477176 | 0.75 | CYP2D6 (0.47) | CYP2D6CYP1A2CYP2C9MMP13ALDH1A1 | |
| SCHEMBL8418436 | 0.75 | CYP2D6 (0.47) | CYP2D6CYP1A2CYP2C9MMP13ALDH1A1 | |
| SCHEMBL9864624 | 0.73 | ALDH1A1 (0.44) | CYP2D6CYP1A2CYP2C9MMP13KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-8030489-B2 | Ornithine derivative | ASTELLAS PHARMA INC. (JP) | 2011-10-04 | — | — | US | disclosed |
| US-20100216803-A1 | ORNITHINE DERIVATIVE | ASTELLAS PHARMA INC. (JP) | 2010-08-26 | — | — | US | disclosed |
| EP-2141147-A1 | ORNITHINE DERIVATIVE | Astellas Pharma Inc. (JP) | 2010-01-06 | — | — | EP | 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-20100216803-A1 | ORNITHINE DERIVATIVE | PTGER4, OXER1, ODC1 | CYP2D6 3360/4885CYP1A2 3595/4885CYP2C9 3123/4885 |
“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.