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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 5/20 | 0.81 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.63 |
| ▸ | POLB | P06746 | 2/20 | 0.63 |
| ▸ | RECQL | P46063 | 2/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.63 |
| ▸ | GLA | P06280 | 1/20 | 0.63 |
| ▸ | BLM | P54132 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | FPR1 | P21462 | 1/20 | 0.52 |
| ▸ | RARB | P10826 | 1/20 | 0.52 |
| ▸ | RARG | P13631 | 1/20 | 0.52 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.52 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.52 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Carbenicillin SCHEMBL11311430 | 0.90 | LMNA (1.00) | LMNASMN1; SMN2KDM4EHSD17B10CYP3A4 | |
| Carbenicillin SCHEMBL54797 | 0.90 | LMNA (1.00) | LMNASMN1; SMN2KDM4EHSD17B10CYP3A4 | |
| Ticarcillin SCHEMBL41224 | 0.85 | SMN1; SMN2 (1.00) | LMNASMN1; SMN2KDM4EHSD17B10CYP3A4 | |
| Ticarcillin SCHEMBL41223 | 0.85 | SMN1; SMN2 (1.00) | LMNASMN1; SMN2KDM4EHSD17B10CYP3A4 | |
| Ticarcillin SCHEMBL4935403 | 0.85 | SMN1; SMN2 (1.00) | LMNASMN1; SMN2KDM4EHSD17B10CYP3A4 | |
| Carbenicillin SCHEMBL8974021 | 0.85 | LMNA (0.89) | LMNASMN1; SMN2KDM4EHSD17B10CYP3A4 | |
| SCHEMBL11320425 | 0.84 | PTGS1 (0.73) | LMNASMN1; SMN2KDM4EHSD17B10CYP3A4 | |
| Carbenicillin SCHEMBL10811380 | 0.84 | LMNA (0.88) | LMNASMN1; SMN2KDM4EHSD17B10CYP3A4 | |
| Carbenicillin SCHEMBL11317057 | 0.84 | LMNA (0.88) | LMNASMN1; SMN2KDM4EHSD17B10CYP3A4 | |
| SCHEMBL11320421 | 0.84 | PTGS1 (0.73) | LMNASMN1; SMN2KDM4EHSD17B10CYP3A4 |
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-4304717-A | Process for the preparation of reactive penicillanic acid and cephalosporanic acid derivatives | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) | 1981-12-08 | — | — | US | disclosed |
| US-4171303-A | Process for the preparation of reactive penicillanic acid and cephalosporanic acid derivatives | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) | 1979-10-16 | — | — | US | disclosed |