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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.52 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.52 |
| ▸ | TACR1 | P25103 | 6/20 | 0.67 |
| ▸ | NMBR | P28336 | 5/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.52 |
| ▸ | BRS3 | P32247 | 1/20 | 0.51 |
| ▸ | BMP1 | P13497 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11872323 | 0.98 | TACR1 (0.67) | TACR1NMBRMAPTGAAHTT | |
| SCHEMBL11876669 | 0.90 | TACR1 (0.72) | TACR1NMBRMAPTGAAHTT | |
| SCHEMBL11870726 | 0.90 | TACR1 (0.72) | TACR1NMBRMAPTGAAHTT | |
| SCHEMBL11866629 | 0.90 | TACR1 (0.72) | TACR1NMBRMAPTGAAHTT | |
| Benzotript SCHEMBL11868197 | 0.82 | TACR1 (0.67) | TACR1 | |
| SCHEMBL29935468 | 0.82 | NMBR (0.76) | NMBRMAPTGAAHTTLMNA | |
| SCHEMBL1285921 | 0.82 | NMBR (0.76) | NMBRMAPTGAAHTTLMNA | |
| SCHEMBL3265534 | 0.82 | NMBR (0.76) | TACR1NMBRMAPTGAAHTT | |
| SCHEMBL29401161 | 0.82 | NMBR (0.76) | TACR1NMBRMAPTGAAHTT | |
| SCHEMBL3808330 | 0.82 | NMBR (0.76) | NMBRMAPTGAAHTTLMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4000297-A | GASTROENTERIC ACTIVITY | ROTTA RESEARCH LABORATORIUM S.P.A. (IT) | 1976-12-28 | — | — | US | disclosed |