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 | |
|---|---|---|---|---|
| ▸ | CYSLTR1 known ✓ | Q9Y271 | 5/20 | 0.58 |
| ▸ | SCN9A known ✓ | Q15858 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.74 |
| ▸ | LMNA | P02545 | 3/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.74 |
| ▸ | TP53 | P04637 | 1/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.74 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.74 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.74 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.74 |
| ▸ | GMNN | O75496 | 1/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.74 |
| ▸ | HPGD | P15428 | 1/20 | 0.74 |
| ▸ | APEX1 | P27695 | 1/20 | 0.74 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.74 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.74 |
| ▸ | CYSLTR2 | Q9NS75 | 5/20 | 0.58 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.48 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL10913562 | 0.89 | MAPT (0.69) | MAPTLMNACYP1A2TP53CYP3A4 | |
| SCHEMBL3887207 | 0.88 | CYP1A2 (0.57) | MAPTLMNACYP1A2TP53CYP3A4 | |
| SCHEMBL3885170 | 0.88 | CYP1A2 (0.57) | MAPTLMNACYP1A2TP53CYP3A4 | |
| SCHEMBL3573474 | 0.88 | CYP1A2 (0.57) | MAPTLMNACYP1A2TP53CYP3A4 | |
| SCHEMBL3893051 | 0.87 | CYP1A2 (0.56) | MAPTLMNACYP1A2TP53CYP3A4 | |
| SCHEMBL3890779 | 0.86 | CYSLTR2 (0.58) | MAPTLMNACYP1A2TP53CYP3A4 | |
| Quizalofop SCHEMBL10978823 | 0.85 | ALDH1A1 (0.92) | MAPTLMNACYP1A2TP53CYP3A4 | |
| R(+)Xk469 SCHEMBL8881029 | 0.85 | ALDH1A1 (1.00) | MAPTLMNACYP1A2TP53CYP3A4 | |
| R(+)Xk469 SCHEMBL29395514 | 0.85 | ALDH1A1 (1.00) | MAPTLMNACYP1A2TP53CYP3A4 | |
| SCHEMBL3574619 | 0.80 | MAPT (0.49) | MAPTLMNACYP1A2TP53CYP3A4 |
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-7507749-B2 | Antitumor agents | WAYNE STATE UNIVERSITY (US) | 2009-03-24 | — | — | US | claimed |
| US-7241894-B2 | Antitumor agents | WAYNE STATE UNIVERSITY (US) | 2007-07-10 | — | — | US | claimed |