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 | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3722704 | 1.00 | NPC1 (0.43) | NPC1SMN1; SMN2TP53RAB9AKDM4E | |
| SCHEMBL3727763 | 0.83 | NPC1 (0.53) | NPC1SMN1; SMN2RAB9AKDM4ETSHR | |
| SCHEMBL3727760 | 0.83 | NPC1 (0.53) | NPC1SMN1; SMN2RAB9AKDM4ETSHR | |
| SCHEMBL13285389 | 0.81 | NPC1 (0.46) | NPC1SMN1; SMN2TP53RAB9AKDM4E | |
| SCHEMBL13259614 | 0.81 | NPC1 (0.46) | NPC1SMN1; SMN2TP53RAB9AKDM4E | |
| SCHEMBL3346895 | 0.76 | TP53 (0.46) | NPC1SMN1; SMN2TP53RAB9AKDM4E | |
| SCHEMBL28541309 | 0.76 | NPC1 (0.55) | NPC1SMN1; SMN2TP53RAB9AKDM4E | |
| SCHEMBL3424971 | 0.73 | ALDH1A1 (0.49) | TP53MEN1KMT2AALDH1A1LMNA | |
| SCHEMBL3424979 | 0.73 | ALDH1A1 (0.49) | TP53MEN1KMT2AALDH1A1LMNA | |
| SCHEMBL6055361 | 0.72 | TSHR (0.53) | SMN1; SMN2TSHRMEN1KMT2ACES1 |
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-20100173793-A1 | PEPTIDE / PROTEIN IDENTIFICATION USING PHOTOREACTIVE CARRIERS FOR THE IMMOBILISATION OF THE LIGANDS | UNIVERSITY OF WARWICK (GB) | 2010-07-08 | — | — | US | disclosed |
| EP-1926992-A2 | PEPTIDE / PROTEIN IDENTIFICATION USING PHOTOREACTIVE CARRIERS FOR THE IMMOBILISATION OF THE LIGANDS | THE UNIVERSITY OF WARWICK (GB) | 2008-06-04 | — | — | EP | disclosed |
| WO-2007020453-A2 | PEPTIDE / PROTEIN IDENTIFICATION USING PHOTOREACTIVE CARRIERS FOR THE IMMOBILISATION OF THE LIGANDS | UNIVERSITY OF WARWICK (GB) | 2007-02-22 | — | — | WO | 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-20100173793-A1 | PEPTIDE / PROTEIN IDENTIFICATION USING PHOTOREACTIVE CARRIERS FOR THE IMMOBILISATION OF THE LIGANDS | CLTA, CD40, DNPEP | PARP1 4165/4885NPC1 4391/4885SMN1; SMN2 4878/4885 |
“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.