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 | |
|---|---|---|---|---|
| ▸ | ACE known ✓ | P12821 | 2/20 | 0.53 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.57 |
| ▸ | MMP1 | P03956 | 4/20 | 0.56 |
| ▸ | ECE1 | P42892 | 4/20 | 0.55 |
| ▸ | MMP2 | P08253 | 7/20 | 0.54 |
| ▸ | MMP9 | P14780 | 7/20 | 0.54 |
| ▸ | MMP8 | P22894 | 7/20 | 0.54 |
| ▸ | MMP3 | P08254 | 2/20 | 0.53 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.52 |
| ▸ | ADAM12 | O43184 | 1/20 | 0.52 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.52 |
| ▸ | MMP7 | P09237 | 1/20 | 0.52 |
| ▸ | MMP12 | P39900 | 1/20 | 0.52 |
| ▸ | MMP13 | P45452 | 1/20 | 0.52 |
| ▸ | MMP14 | P50281 | 1/20 | 0.52 |
| ▸ | MMP15 | P51511 | 1/20 | 0.52 |
| ▸ | MMP16 | P51512 | 1/20 | 0.52 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.52 |
| ▸ | ADAM9 | Q13443 | 1/20 | 0.52 |
| ▸ | MMP26 | Q9NRE1 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL15004693 | 0.92 | ERAP2 (0.67) | ERAP2MMP1ECE1ACE | |
| SCHEMBL15004694 | 0.84 | ACE (0.62) | ERAP2ECE1ACE | |
| SCHEMBL15005417 | 0.83 | ACE (0.61) | ERAP2ECE1ACE | |
| Oglufanide SCHEMBL15004877 | 0.82 | ERAP2 (0.58) | ERAP2ECE1ACEIL1RNERAP1 | |
| SCHEMBL10030546 | 0.81 | ACE (0.71) | ECE1ACE | |
| SCHEMBL27461667 | 0.79 | ERAP2 (0.66) | ERAP2ECE1ACE | |
| SCHEMBL27478211 | 0.79 | ERAP2 (0.66) | ERAP2ECE1ACE | |
| SCHEMBL30310892 | 0.79 | ERAP2 (0.66) | ERAP2ECE1ACE | |
| SCHEMBL24301277 | 0.79 | MMP2 (0.51) | MMP1ECE1MMP2MMP9MMP8 | |
| SCHEMBL30123123 | 0.79 | ERAP2 (0.76) | ERAP2MMP1ECE1ACEIL1RN |
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 |
|---|---|---|---|---|---|---|---|
| EP-2601963-B1 | N-ISOVALEROYL-L-GLUTAMYL-L-TRYPTOPHAN AS AN AGENT INHIBITING THE FORMATION OF ULCERS IN THE STOMACH AND THE DUODENUM | OBSHESTVO S OGRANICHENNOJ OTVETSTVENNOSTJU CYTONIR (RU) | 2015-04-22 | — | — | EP | disclosed |
| EP-2601963-A1 | N-ISOVALEROYL-L-GLUTAMYL-L-TRYPTOPHAN AS AN AGENT INHIBITING THE FORMATION OF ULCERS IN THE STOMACH AND THE DUODENUM | Obshestvo S Ogranichennoj Otvetstvennostju "citoNIR" (RU) | 2013-06-12 | — | — | EP | disclosed |