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 | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 1/20 | 0.47 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.42 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CTSA | P10619 | 10/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.38 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16245308 | 0.82 | MEN1 (0.44) | ITGB1ITGA4MEN1USP2KMT2A | |
| SCHEMBL7554548 | 0.76 | MEN1 (0.41) | ITGB1ITGA4MEN1USP2KMT2A | |
| SCHEMBL7140674 | 0.76 | MEN1 (0.41) | ITGB1ITGA4MEN1USP2KMT2A | |
| SCHEMBL5091427 | 0.74 | ITGB1 (0.48) | ITGB1ITGA4MEN1KMT2AP2RX3 | |
| SCHEMBL6303982 | 0.74 | MEN1 (0.41) | ITGB1ITGA4MEN1USP2KMT2A | |
| SCHEMBL6303696 | 0.74 | MEN1 (0.41) | ITGB1ITGA4MEN1USP2KMT2A | |
| SCHEMBL7015933 | 0.70 | ITGB1 (0.46) | ITGB1ITGA4MEN1KMT2AP2RX3 | |
| SCHEMBL7015928 | 0.70 | ITGB1 (0.46) | ITGB1ITGA4MEN1KMT2AP2RX3 | |
| SCHEMBL6221566 | 0.69 | ITGB3 (0.50) | MEN1KMT2APOLBCTSAALDH1A1 | |
| SCHEMBL5782977 | 0.68 | MEN1 (0.45) | MEN1USP2KMT2AKCNK3KCNK9 |
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-20120289481-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | MERCK SHARP & DOHME CORP. | 2012-11-15 | — | — | 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-20120289481-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | MTOR, ITGB3, ITGB4 | ITGB1 7/4885ITGA4 4/4885MEN1 1772/4885 |
“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.