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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A1 | P30531 | 7/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7604543 | 0.89 | SLC6A1 (0.60) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL8196383 | 0.88 | SLC6A1 (0.58) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8196439 | 0.83 | ALDH1A1 (0.57) | ALDH1A1 | |
| SCHEMBL7604278 | 0.82 | SLC6A1 (0.65) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL7609305 | 0.82 | SLC6A1 (0.65) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL7605253 | 0.82 | SLC6A1 (0.65) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL7609301 | 0.82 | SLC6A1 (0.65) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7815336 | 0.81 | ALDH1A1 (0.65) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8195372 | 0.81 | ALDH1A1 (0.65) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8195375 | 0.81 | ALDH1A1 (0.65) | SLC6A1ALDH1A1LMNACYP1A2CYP2D6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0738262-B1 | NOVEL HETEROCYCLIC COMPOUNDS | NOVO NORDISK AS (DK) | 2000-04-19 | — | — | EP | disclosed |
| US-6043239-A | N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF IN WHICH A SUBSTITUTED ALKYL CHAIN FORMS PART OF THE N-SUBSTITUENT; TREATMENT OF PAINFUL, HYPERALGESIC AND/OR INFLAMMATORY CONDITIONS | NOVO NORDISK A/S (DK) | 2000-03-28 | — | — | US | disclosed |
| EP-0869777-A1 | NOVEL METHOD | NOVO NORDISK A/S (DK) | 1998-10-14 | — | — | EP | disclosed |
| US-5668129-A | ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIDIABETIC AGENTS | NOVO NORDISK A/S (DK) | 1997-09-16 | — | — | US | disclosed |
| WO-1997022338-A1 | NOVEL METHOD | NOVO NORDISK A/S (DK) | 1997-06-26 | — | — | WO | disclosed |
| US-5595989-A | ANTIINFLAMMATORY AGENTS AND ANTIDIABETIC AGENTS | NOVO NORDISK A/S (DK) | 1997-01-21 | — | — | US | disclosed |
| EP-0738262-A1 | NOVEL HETEROCYCLIC COMPOUNDS | NOVO NORDISK A/S (DK) | 1996-10-23 | — | — | EP | disclosed |
| WO-1995018793-A1 | NOVEL HETEROCYCLIC COMPOUNDS | NOVO NORDISK A/S (DK) | 1995-07-13 | — | — | WO | disclosed |