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 | 1/20 | 0.41 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | DGKA | P23743 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7560266 | 0.85 | NAAA (0.58) | NAAATSHRRECQLGLAHPGD | |
| SCHEMBL8423143 | 0.85 | NAAA (0.58) | NAAATSHRRECQLGLAHPGD | |
| SCHEMBL121777 | 0.85 | NAAA (0.58) | NAAATSHRRECQLGLAHPGD | |
| SCHEMBL11701087 | 0.85 | NAAA (0.58) | NAAATSHRRECQLGLAHPGD | |
| SCHEMBL6839071 | 0.85 | NAAA (0.58) | NAAATSHRRECQLGLAHPGD | |
| SCHEMBL11699296 | 0.85 | NAAA (0.58) | NAAATSHRRECQLGLAHPGD | |
| SCHEMBL25301056 | 0.83 | CA2 (0.56) | CA2TSHRRECQLCA1GLA | |
| SCHEMBL2123674 | 0.83 | CA2 (0.56) | CA2TSHRRECQLCA1GLA | |
| SCHEMBL3018922 | 0.83 | CA2 (0.56) | CA2TSHRRECQLCA1GLA | |
| SCHEMBL25166910 | 0.82 | NAAA (0.49) | NAAACA2TSHRRECQLGLA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110189110-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF XEROSTOMIA | COLGATE-PALMOLIVE COMPANY (US) | 2011-08-04 | — | — | US | disclosed |
| US-20110014136-A1 | ORAL CARE PRODUCT AND METHODS OF USE AND MANUFACTURE THEREOF | COLGATE-PALMOLIVE COMPANY (US) | 2011-01-20 | — | — | US | disclosed |