Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | P2RY4 known ✓ | P51582 | 5/20 | 0.40 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.40 |
| ▸ | P2RY2 known ✓ | P41231 | 6/20 | 0.39 |
| ▸ | P2RY12 known ✓ | Q9H244 | 6/20 | 0.39 |
| ▸ | P2RY6 known ✓ | Q15077 | 3/20 | 0.39 |
| ▸ | P2RY1 known ✓ | P47900 | 2/20 | 0.36 |
| ▸ | CA12 known ✓ | O43570 | 6/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 6/20 | 0.36 |
| ▸ | CA2 known ✓ | P00918 | 6/20 | 0.36 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.42 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL29575012 | 1.00 | CARM1 (0.42) | CARM1PRMT1P2RY4MEN1USP2 | |
| SCHEMBL29637596 | 0.88 | FUT8 (0.46) | CARM1PRMT1MEN1USP2THRB | |
| SCHEMBL4167795 | 0.88 | FUT8 (0.46) | CARM1PRMT1MEN1USP2THRB | |
| SCHEMBL3653222 | 0.88 | FUT8 (0.46) | CARM1PRMT1MEN1USP2THRB | |
| SCHEMBL12954926 | 0.85 | FUT8 (0.43) | CARM1PRMT1MEN1USP2THRB | |
| SCHEMBL29386110 | 0.83 | P2RY12 (0.65) | P2RY4MEN1USP2LMNATP53 | |
| SCHEMBL28606272 | 0.83 | P2RY2 (0.40) | CARM1PRMT1P2RY4MEN1USP2 | |
| SCHEMBL20314643 | 0.83 | FUT8 (0.43) | P2RY4MEN1USP2THRBAPEX1 | |
| SCHEMBL9270771 | 0.82 | FUT8 (0.48) | CARM1PRMT1P2RY4MEN1USP2 | |
| SCHEMBL9740928 | 0.82 | FUT8 (0.48) | CARM1PRMT1P2RY4MEN1USP2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8367823-B2 | Colorants based N-halamines compositions and method of making and using | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2013-02-05 | — | — | US | disclosed |
| CN-101868506-A | Colorants based N-halamines compositions and method of making and using | UNIV TEXAS | 2010-10-20 | — | — | CN | disclosed |
| EP-2201069-A2 | COLORANTS BASED N-HALAMINES COMPOSITIONS AND METHOD OF MAKING AND USING | Board of Regents, The University of Texas System (US) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009039180-A2 | COLORANTS BASED N-HALAMINES COMPOSITIONS AND METHOD OF MAKING AND USING | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2009-03-26 | — | — | WO | disclosed |
| US-20090074825-A1 | COLORANTS BASED N-HALAMINES COMPOSITIONS AND METHOD OF MAKING AND USING | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2009-03-19 | — | — | 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-20090074825-A1 | COLORANTS BASED N-HALAMINES COMPOSITIONS AND METHOD OF MAKING AND USING | TYR, MPO, NISCH | P2RY4 3991/4885THRB 3776/4885P2RY2 4371/4885 |
“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.