Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Chlorobutanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29357453 | 0.89 | ALDH1A1 (0.43) | HPGDALDH1A1KDM4EGAAKMT2A | |
| SCHEMBL3525 | 0.89 | ALDH1A1 (0.43) | HPGDALDH1A1KDM4EGAAKMT2A | |
| SCHEMBL8156346 | 0.89 | ALDH1A1 (0.43) | HPGDALDH1A1KDM4EGAAKMT2A | |
| Hydrochloric Acid SCHEMBL20582713 | 0.87 | ALDH1A1 (0.42) | HPGDALDH1A1KDM4EGAAKMT2A | |
| SCHEMBL3732612 | 0.83 | ALDH1A1 (0.39) | HPGDALDH1A1KDM4EGAAKMT2A | |
| Phenol SCHEMBL2708696 | 0.82 | HPGD (0.41) | HPGDALDH1A1KDM4EGAAKMT2A | |
| Oxamate SCHEMBL8591136 | 0.81 | SIRT1 (0.39) | HPGDALDH1A1KDM4EGAAKMT2A | |
| Thioglycolic Acid SCHEMBL7524623 | 0.81 | HPGD (0.37) | HPGDALDH1A1KDM4EGAAKMT2A | |
| Benzoic Acid SCHEMBL15903860 | 0.81 | CA2 (0.40) | HPGDALDH1A1KDM4EGAAKMT2A | |
| Benzyl Alcohol SCHEMBL2110820 | 0.80 | GAA (0.39) | HPGDALDH1A1KDM4EGAAKMT2A |
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-8067369-B2 | Protection of the retina against laser injury by NAP and related peptides | RAMOT AT TEL-AVIV UNIVERSITY (IL) | 2011-11-29 | — | — | US | disclosed |
| US-20090170780-A1 | PROTECTION OF THE RETINA AGAINST LASER INJURY BY NAP AND RELATED PEPTIDES | RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) | 2009-07-02 | — | — | US | disclosed |