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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 5/20 | 0.40 |
| ▸ | CA12 known ✓ | O43570 | 4/20 | 0.40 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.40 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.40 |
| ▸ | FDPS known ✓ | P14324 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 6/20 | 0.40 |
| ▸ | CA5A | P35218 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | CLTC | Q00610 | 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 | |
|---|---|---|---|---|
| SCHEMBL31628255 | 1.00 | GAA (0.41) | GAACA9CA2CA12CA1 | |
| SCHEMBL9066897 | 0.84 | CA2 (0.46) | CA9CA2CA12CA1CA5A | |
| SCHEMBL31262371 | 0.82 | GAA (0.44) | GAACA9CA2CA12CA1 | |
| SCHEMBL11150455 | 0.82 | GAA (0.44) | GAACA9CA2CA12CA1 | |
| SCHEMBL18065892 | 0.80 | ALDH1A1 (0.48) | GAACA9CA2CA12CA1 | |
| SCHEMBL30659891 | 0.80 | GAA (0.43) | GAACA9CA2CA12CA1 | |
| SCHEMBL2634762 | 0.80 | GAA (0.43) | GAACA9CA2CA12CA1 | |
| SCHEMBL30223423 | 0.80 | CA2 (0.52) | GAACA9CA2CA12CA1 | |
| SCHEMBL449211 | 0.80 | CA2 (0.52) | GAACA9CA2CA12CA1 | |
| SCHEMBL7049241 | 0.78 | FDPS (0.43) | GAACA9CA2CA12CA1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150031685-A1 | SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS | Dr. Reeddy's Laboratories Ltd. (IN) | 2015-01-29 | — | — | US | disclosed |
| EP-1005341-B1 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2007-12-19 | — | — | EP | disclosed |
| EP-1005341-A4 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1087661-A4 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2003-04-16 | — | — | EP | disclosed |
| EP-1098884-A4 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2003-01-22 | — | — | EP | disclosed |
| EP-1098884-A1 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-16 | — | — | EP | disclosed |
| EP-1087661-A1 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-04-04 | — | — | EP | disclosed |
| EP-1005341-A1 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-06-07 | — | — | EP | disclosed |
| CN-1253501-A | IL-8 receptor antagonists | SMITHKLINE BEECHAM CORP (US) | 2000-05-17 | — | — | CN | disclosed |
| WO-2000005216-A1 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-02-03 | — | — | WO | disclosed |
| WO-1999065310-A1 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-12-23 | — | — | WO | disclosed |
| WO-1998032438-A1 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-07-30 | — | — | 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-20150031685-A1 | SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS | OPRK1, OPRL1, OPRD1 | CA2 1495/4885CA12 3131/4885CA1 2189/4885 |
“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.