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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.59 |
| ▸ | GAA | P10253 | 5/20 | 0.59 |
| ▸ | RAB9A | P51151 | 5/20 | 0.59 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 6/20 | 0.52 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7369662 | 0.77 | CSNK2A1 (0.61) | KMT2AGAARAB9ACSNK2A1MAPT | |
| SCHEMBL4548018 | 0.77 | GAA (1.00) | KMT2AGAARAB9ACSNK2A1MAPT | |
| Dinitro Cresol SCHEMBL591998 | 0.76 | ALDH1A1 (0.71) | KMT2AGAARAB9AMAPTALDH1A1 | |
| Trinitrophenol SCHEMBL28048084 | 0.76 | GPR35 (0.64) | KMT2AGAARAB9AMAPTALDH1A1 | |
| SCHEMBL7366431 | 0.73 | LARS1 (0.57) | KMT2AGAARAB9ACSNK2A1MAPT | |
| SCHEMBL6797083 | 0.73 | RAB9A (0.49) | KMT2AGAARAB9AMAPTALDH1A1 | |
| Trinitrophenol SCHEMBL9443134 | 0.72 | GPR35 (0.63) | KMT2AGAARAB9AMAPTALDH1A1 | |
| Trinitrophenol SCHEMBL9443183 | 0.71 | GPR35 (0.71) | KMT2AGAARAB9AMAPTALDH1A1 | |
| Trinitrophenol SCHEMBL31588165 | 0.71 | GPR35 (0.71) | KMT2AGAARAB9AMAPTALDH1A1 | |
| Trinitrophenol SCHEMBL28287535 | 0.71 | GPR35 (0.63) | KMT2AGAARAB9AMAPTALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7262204-B2 | Modulation of CCR4 function | AMGEN INC. (US) | 2007-08-28 | — | — | US | disclosed |
| US-7144903-B2 | CCR4 antagonists | AMGEN INC. (US) | 2006-12-05 | — | — | US | disclosed |
| EP-1578341-A4 | MODULATION OF CCR4 FUNCTION | TULARIK INC (US) | 2005-09-28 | — | — | EP | disclosed |
| EP-1578341-A2 | MODULATION OF CCR4 FUNCTION | Tularik Inc. (US) | 2005-09-28 | — | — | EP | disclosed |
| US-20040039035-A1 | Modulation of CCR4 function | TULARIK INC. | 2004-02-26 | — | — | US | disclosed |
| US-20030018022-A1 | Ccr4 antagonists | TULARIK INC. | 2003-01-23 | — | — | US | disclosed |
| WO-2002094264-A1 | CCR4 ANTAGONISTS | TULARIK INC. (US) | 2002-11-28 | — | — | WO | disclosed |
| US-20020173524-A1 | Modulation of CCR4 function | TULARIK INC. (US) | 2002-11-21 | — | — | US | disclosed |
| WO-2002030358-A2 | MODULATION OF CCR4 FUNCTION | TULARIK INC. (US) | 2002-04-18 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030018022-A1 | Ccr4 antagonists | CCR4, CCR1, CCR3 | KMT2A 4260/4885GAA 3973/4885RAB9A 3982/4885 |
| US-20020173524-A1 | Modulation of CCR4 function | CCR4, CCR1, CCR3 | KMT2A 4488/4885GAA 4035/4885RAB9A 3386/4885 |
| US-20040039035-A1 | Modulation of CCR4 function | CCR4, CCR1, CCR3 | KMT2A 4488/4885GAA 4035/4885RAB9A 3386/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.