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 | 1/20 | 0.40 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 2/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | NGLY1 | Q96IV0 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29904664 | 0.85 | KDM4E (0.54) | IDO1KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL30447178 | 0.81 | IDO1 (0.48) | IDO1KDM4EALDH1A1HPGDTDP1 | |
| Lithium Ion SCHEMBL12983973 | 0.81 | IDO1 (0.48) | IDO1KDM4EALDH1A1HPGDTDP1 | |
| Potassium Ion SCHEMBL10348258 | 0.81 | IDO1 (0.48) | IDO1KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL8006520 | 0.80 | IDO1 (0.66) | IDO1KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL197490 | 0.79 | IDO1 (1.00) | IDO1KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL2205716 | 0.79 | IDO1 (0.70) | IDO1KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL8006518 | 0.79 | IDO1 (1.00) | IDO1KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL29475880 | 0.79 | IDO1 (1.00) | IDO1KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL9017418 | 0.78 | KDM4E (0.57) | KDM4EALDH1A1HPGDTDP1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6451607-B1 | WET TRANSFER SWAB OR SPONGE; INDICATOR FOR COLORIMETRIC ANALYSIS; DIAGNOSES OF INFECTIONS | LITMUS CONCEPTS, INC. | 2002-09-17 | — | — | US | disclosed |
| WO-1999057562-A1 | EXTERNAL DRIED-REAGENT CONTROL FOR ANALYTICAL TEST DEVICES | LITMUS CONCEPTS, INC. (US) | 1999-11-11 | — | — | WO | disclosed |
| US-4026916-A | Terminal amine-containing polypivalolactone | E. I. DU PONT DE NEMOURS & COMPANY (US) | 1977-05-31 | — | — | US | disclosed |