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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 10/20 | 0.54 |
| ▸ | CA1 known ✓ | P00915 | 9/20 | 0.54 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HBB | P68871 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL2271440 | 0.95 | ALDH1A1 (0.64) | ALDH1A1HPGDMAPTRAB9ANPC1 | |
| Potassium Ion SCHEMBL1552311 | 0.95 | ALDH1A1 (0.64) | ALDH1A1HPGDMAPTRAB9ANPC1 | |
| Lithium Ion SCHEMBL10626124 | 0.95 | ALDH1A1 (0.64) | ALDH1A1HPGDMAPTRAB9ANPC1 | |
| Tetramethylammonium Ion SCHEMBL10624593 | 0.91 | ALDH1A1 (0.59) | ALDH1A1HPGDMAPTRAB9ANPC1 | |
| SCHEMBL11268165 | 0.89 | NPC1 (0.69) | ALDH1A1HPGDMAPTRAB9ANPC1 | |
| SCHEMBL11862685 | 0.89 | NPC1 (0.69) | ALDH1A1HPGDMAPTRAB9ANPC1 | |
| Terephthalic Acid SCHEMBL31095056 | 0.80 | CA2 (0.78) | MAPTCA2CA1TSHRCA4 | |
| Terephthalic Acid SCHEMBL104073 | 0.80 | CA2 (0.78) | MAPTCA2CA1TSHRCA4 | |
| SCHEMBL27918404 | 0.79 | HDAC1 (0.49) | ALDH1A1HPGDMAPTRAB9ANPC1 | |
| Michler'S Ketone SCHEMBL36517 | 0.78 | ALDH1A1 (1.00) | ALDH1A1HPGDMAPTRAB9ANPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007017348-A2 | PHOTOPOLYMERISABLE SYSTEMS CONTAINING RADIATION CURABLE, LOW-EXTRACTABLE AND LOW-VOLATILE COINITIATORS | LAMBERTI SPA (IT) | 2007-02-15 | — | — | WO | disclosed |
| US-4665023-A | MEDICAL DIAGNOSIS | BOEHRINGER MANNHEIM GMBH (DE) | 1987-05-12 | — | — | US | disclosed |
| EP-0161436-A1 | Redox indicators | Roche Diagnostics GmbH (DE) | 1985-11-21 | — | — | EP | disclosed |
| US-4078054-A | COSMETICS | VAN DYK & COMPANY, INCORPORATED (US) | 1978-03-07 | — | — | US | disclosed |