Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Bromoxynil. 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 | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 3/20 | 0.76 |
| ▸ | ALB | P02768 | 2/20 | 0.76 |
| ▸ | MEN1 | O00255 | 1/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.76 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.39 |
| ▸ | PTP4A1 | Q93096 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Bromoxynil SCHEMBL7061086 | 0.92 | TTR (0.83) | TTRALBMEN1KMT2ATSHR | |
| Bromoxynil SCHEMBL1701902 | 0.87 | TTR (1.00) | TTRALBMEN1KMT2ATSHR | |
| Bromoxynil SCHEMBL19210 | 0.87 | TTR (1.00) | TTRALBMEN1KMT2ATSHR | |
| Bromoxynil SCHEMBL726301 | 0.85 | TTR (0.95) | TTRALBMEN1KMT2ATSHR | |
| Bromoxynil SCHEMBL22721314 | 0.85 | TTR (0.95) | TTRALBMEN1KMT2ATSHR | |
| Bromoxynil SCHEMBL466353 | 0.85 | TTR (0.95) | TTRALBMEN1KMT2ATSHR | |
| Bromoxynil SCHEMBL29642876 | 0.85 | TTR (0.95) | TTRALBMEN1KMT2ATSHR | |
| Bromoxynil SCHEMBL3300254 | 0.83 | TTR (0.61) | TTRALBMEN1KMT2ATSHR | |
| Acetic Acid SCHEMBL10759274 | 0.79 | PTPN11 (0.48) | TTRALBMEN1KMT2AALOX15 | |
| Bromoxynil SCHEMBL5148039 | 0.78 | TTR (0.73) | TTRALBMEN1KMT2ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-107573295-B | Molecules and intermediates having pesticidal utility, compositions and methods relating thereto | 美国陶氏益农公司 | 2020-12-15 | — | — | CN | disclosed |
| US-5021083-A | Stable aqueous or aqueous alcoholic dispersion based on derivatives of oxynil, herbicidal composition comprised thereof and selective herbicidal treatment comprising the use of the said herbicidal composition | COMPAGNIE FRANCAISE DE PRODUITS INDUSTRIELS (FR) | 1991-06-04 | — | — | US | disclosed |