Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Trinitrophenol. 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 | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | CRHBP | P24387 | 1/20 | 0.47 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1134873 | 0.80 | RAB9A (0.58) | RAB9AALDH1A1HPGDSMN1; SMN2NPC1 | |
| SCHEMBL6777037 | 0.79 | ALDH1A1 (0.67) | RAB9AALDH1A1HPGDSMN1; SMN2NPC1 | |
| SCHEMBL11340446 | 0.78 | PKM (0.56) | ALDH1A1HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL11025520 | 0.78 | LMNA (0.56) | ALDH1A1HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL1285585 | 0.78 | NPC1 (0.61) | RAB9AALDH1A1SMN1; SMN2NPC1TAAR1 | |
| SCHEMBL22030672 | 0.76 | GAA (0.68) | RAB9ASMN1; SMN2NPC1MAPTLMNA | |
| Hippuric Acid SCHEMBL7486 | 0.76 | GAA (0.68) | RAB9ASMN1; SMN2NPC1MAPTLMNA | |
| Hippuric Acid SCHEMBL428479 | 0.76 | GAA (0.68) | RAB9ASMN1; SMN2NPC1MAPTLMNA | |
| Trinitrophenol SCHEMBL31588669 | 0.76 | GPR35 (0.73) | ALDH1A1HPGDSMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL15610402 | 0.75 | LMNA (0.56) | RAB9AALDH1A1HPGDSMN1; SMN2NPC1 |
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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3083628-B1 | FUSED IMIDAZOLYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS | ESTEVE PHARMACEUTICALS SA (ES) | 2019-08-07 | — | — | EP | disclosed |
| EP-2817309-B1 | SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINES, THEIR PREPARATION AND USE AS MEDICAMENTS | ESTEVE LABOR DR (ES) | 2018-06-20 | — | — | EP | disclosed |
| US-9789117-B2 | Use of sigma ligands in diabetes type-2 associated pain | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-10-17 | — | — | US | disclosed |
| EP-1781272-B1 | USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECHANICAL ALLODYNIA | ESTEVE LABOR DR (ES) | 2017-09-06 | — | — | EP | disclosed |
| CN-104254535-B | Substituted pyrazolo [1,5 a] pyridine, its prepare and be used as the application of medicine | 埃斯蒂文博士实验室股份有限公司 | 2017-07-14 | — | — | CN | disclosed |
| US-9676784-B2 | Fused imidazolyl derivatives, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2017-06-13 | — | — | US | disclosed |
| EP-2066648-B1 | SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | ESTEVE LABOR DR (ES) | 2017-04-12 | — | — | EP | disclosed |
| US-9617281-B2 | Imidazo[2,1-b]thiazole derivatives, their preparation and use as medicaments | LABORATORIES DEL DR. ESTEVE S.A. (ES) | 2017-04-11 | — | — | US | disclosed |
| EP-2986616-B1 | TRICYCLIC TRIAZOLIC COMPOUNDS AS SIGMA RECEPTORS LIGANS | ESTEVE LABOR DR (ES) | 2017-03-29 | — | — | EP | disclosed |
| EP-2807169-B1 | SUBSTITUTED PYRANO AND FURANOQUINOLINES, THEIR PREPARATION AND USE AS MEDICAMENTS | ESTEVE LABOR DR (ES) | 2017-03-01 | — | — | EP | disclosed |
| WO-2006069807-A1 | SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2006-07-06 | — | — | WO | disclosed |
| WO-2006069806-A1 | PHARMACEUTICAL COMPOSITION COMPRINSING A 2,5-DIHYDROXYBENZENESULFONIC COMPOUNDS, A POTASSIUM ION CHANNEL MODULATOR AND A PHOSPHODIESTERASE TYPE 5 INHIBITOR | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2006-07-06 | — | — | WO | disclosed |
| WO-2006069809-A1 | SUBSTITUTED INDAZOLYL SULFONAMIDE AND 2,3-DIHYDRO-INDOLYL SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2006-07-06 | — | — | WO | disclosed |
| EP-1676841-A1 | Substitited indazolyl sulfonamide and 2,3-dihydro-indolyl sulfonamide compounds, their prepartion and use in medicaments | Esteve Laboratorios Dr. Esteve S.A. (ES) | 2006-07-05 | — | — | EP | disclosed |
| EP-1676573-A1 | Phamaceutical composition comprising a 2,5-dihydroxybenzenesulfonic-compound, a potassium ion channel modulator and a phosphodiesterase type 5 inhibitor | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2006-07-05 | — | — | EP | disclosed |
| EP-1676842-A1 | Nitro-substituted phenyl-piperazine compounds, their preparation and use in medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2006-07-05 | — | — | EP | disclosed |
| EP-1652521-A1 | Pharmaceutical composition of sildenafil and a large conductance Ca(2+) activated K+ channels activator | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2006-05-03 | — | — | EP | disclosed |
| WO-2006010587-A1 | USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECHANICAL ALLODYNIA | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2006-02-02 | — | — | WO | disclosed |
| US-20060019969-A1 | Use of compounds active on the sigma receptor for the treatment of allodynia | LABORATORIOS DR. ESTEVE S.A. (ES) | 2006-01-26 | — | — | US | disclosed |
| US-20060019968-A1 | Use of compounds active on the sigma receptor for the treatment of neuropathic pain | LABORATORIOS DR. ESTEVE S.A. (ES) | 2006-01-26 | — | — | US | disclosed |