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 | 2/20 | 0.37 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.37 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CTSD | P07339 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9010845 | 0.76 | L3MBTL1 (0.48) | L3MBTL1TDP1HDAC3HDAC4HDAC1 | |
| Diphenylacetic Acid SCHEMBL4163015 | 0.75 | TDP1 (0.54) | L3MBTL1TDP1HDAC3HDAC4HDAC1 | |
| SCHEMBL5052358 | 0.72 | CTSD (0.46) | L3MBTL1TDP1HDAC3HDAC4HDAC1 | |
| Diphenylacetic Acid SCHEMBL9485692 | 0.70 | TDP1 (0.54) | L3MBTL1TDP1HDAC3HDAC4HDAC1 | |
| Diphenylacetic Acid SCHEMBL4205335 | 0.70 | TDP1 (0.54) | L3MBTL1TDP1HDAC3HDAC4HDAC1 | |
| SCHEMBL11533456 | 0.70 | L3MBTL1 (0.54) | L3MBTL1TDP1HDAC3HDAC4HDAC1 | |
| Diphenylacetic Acid SCHEMBL31613149 | 0.70 | TDP1 (0.54) | L3MBTL1TDP1HDAC3HDAC4HDAC1 | |
| Diphenylacetic Acid SCHEMBL31376680 | 0.70 | TDP1 (0.54) | L3MBTL1TDP1HDAC3HDAC4HDAC1 | |
| Diphenylacetic Acid SCHEMBL9750920 | 0.70 | TDP1 (0.54) | L3MBTL1TDP1HDAC3HDAC4HDAC1 | |
| Diphenylacetic Acid SCHEMBL28441752 | 0.70 | TDP1 (0.54) | L3MBTL1TDP1HDAC3HDAC4HDAC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4225589-A | ANTITUMOR | RHONE-POULENC INDUSTRIES (FR) | 1980-09-30 | — | — | US | disclosed |