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 | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | TP53 | P04637 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 1/20 | 0.67 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.63 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.63 |
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | G6PD | P11413 | 4/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | MEN1 | O00255 | 3/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | SHBG | P04278 | 2/20 | 0.62 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.62 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.62 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.62 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL7989329 | 1.00 | MAPK1 (1.00) | MAPK1ALDH1A1TP53MAPTGRIN1 | |
| SCHEMBL7992486 | 1.00 | MAPK1 (1.00) | MAPK1ALDH1A1TP53MAPTGRIN1 | |
| SCHEMBL6437139 | 1.00 | MAPK1 (1.00) | MAPK1ALDH1A1TP53MAPTGRIN1 | |
| Potassium Ion SCHEMBL7996600 | 0.98 | MAPK1 (0.96) | MAPK1ALDH1A1TP53MAPTGRIN1 | |
| Potassium Ion SCHEMBL7978577 | 0.98 | MAPK1 (0.96) | MAPK1ALDH1A1TP53MAPTGRIN1 | |
| SCHEMBL332916 | 0.91 | MAPK1 (0.83) | MAPK1ALDH1A1TP53MAPTGRIN1 | |
| SCHEMBL17006955 | 0.89 | GRIN1 (0.80) | MAPK1ALDH1A1TP53MAPTGRIN1 | |
| SCHEMBL332917 | 0.89 | GRIN1 (0.80) | MAPK1ALDH1A1TP53MAPTGRIN1 | |
| SCHEMBL7869703 | 0.89 | GRIN1 (0.80) | MAPK1ALDH1A1TP53MAPTGRIN1 | |
| SCHEMBL136323 | 0.89 | GRIN1 (0.80) | MAPK1ALDH1A1TP53MAPTGRIN1 |
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-6274118-B1 | INJECTING PATIENT HAVING ENDOCRINE CANCER IN NON-PROSTATIC TISSUE WITH BIOLOGICAL BINDING UNITS WHICH BIND TO PROSTATE SPECIFIC ANTIGEN PRODUCED BY NON-PROSTATIC TISSUE | NORDION INTERNATIONAL INC. (CA) | 2001-08-14 | — | — | US | disclosed |
| WO-1995002424-A1 | LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN | NORDION INTERNATIONAL INC. (CA) | 1995-01-26 | — | — | WO | disclosed |