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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | GPR35 | Q9HC97 | 5/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | TTR | P02766 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Trinitrophenol SCHEMBL29129188 | 0.98 | ALDH1A1 (0.53) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL9141397 | 0.98 | ALDH1A1 (0.53) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL7161635 | 0.95 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL11746242 | 0.95 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL653352 | 0.95 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL48278 | 0.95 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL597737 | 0.95 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL11029128 | 0.95 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL2197455 | 0.95 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 | |
| Trinitrophenol SCHEMBL2218621 | 0.95 | ALDH1A1 (0.55) | ALDH1A1GPR35TDP1HPGDMAPK1 |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2498788-B1 | BONE SUBSTITUTE COMPOSITIONS, METHODS OF PREPARATION AND CLINICAL APPLICATIONS | UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) | 2019-01-09 | — | — | EP | claimed |
| US-8945538-B2 | Bone substitute compositions, methods of preparation and clinical applications | University of Pittsburgh—of the Commonwealth System of Higher Education (US) | 2015-02-03 | — | — | US | claimed |
| US-20140004161-A1 | BONE SUBSTITUTE COMPOSITIONS, METHODS OF PREPARATION AND CLINICAL APPLICATIONS | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2014-01-02 | — | — | US | claimed |
| US-8557235-B2 | Bone substitute compositions, methods of preparation and clinical applications | University of Pittsburgh—Of the Commonwealth System of Hihger Education (US) | 2013-10-15 | — | — | US | claimed |
| US-20130101676-A1 | BONE SUBSTITUTE COMPOSITIONS, METHODS OF PREPARATION AND CLINICAL APPLICATIONS | UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2013-04-25 | — | — | US | claimed |
| US-8357364-B2 | Bone substitute compositions, methods of preparation and clinical applications | University of Pittsburgh—of the Commonwealth System of Higher Education (US) | 2013-01-22 | — | — | US | claimed |
| EP-2498788-A2 | BONE SUBSTITUTE COMPOSITIONS, METHODS OF PREPARATION AND CLINICAL APPLICATIONS | University of Pittsburgh of the Commonwealth System of Higher Education (US) | 2012-09-19 | — | — | EP | claimed |
| WO-2011034916-A2 | BONE SUBSTITUTE COMPOSITIONS, METHODS OF PREPARATION AND CLINICAL APPLICATIONS | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2011-03-24 | — | — | WO | claimed |
| US-20110064703-A1 | BONE SUBSTITUTE COMPOSITIONS, METHODS OF PREPARATION AND CLINICAL APPLICATIONS | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION | 2011-03-17 | — | — | US | claimed |
| US-4455150-A | Chemically enhanced combustion of water-slurry fuels | OLEN KENNETH R | 1984-06-19 | — | — | US | claimed |
| JP-10036203-A | — | — | None | — | — | JP | disclosed |
| JP-57134446-A | — | — | None | — | — | JP | disclosed |
| CN-108047530-B | Composite PE-PPR toughened pipe and preparation method thereof | 金塑企业集团（上海）有限公司 | 2021-05-28 | — | — | CN | disclosed |
| EP-2498788-B1 | BONE SUBSTITUTE COMPOSITIONS, METHODS OF PREPARATION AND CLINICAL APPLICATIONS | UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) | 2019-01-09 | — | — | EP | disclosed |
| US-8945538-B2 | Bone substitute compositions, methods of preparation and clinical applications | University of Pittsburgh—of the Commonwealth System of Higher Education (US) | 2015-02-03 | — | — | US | disclosed |
| US-20110064703-A1 | BONE SUBSTITUTE COMPOSITIONS, METHODS OF PREPARATION AND CLINICAL APPLICATIONS | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION | 2011-03-17 | — | — | US | disclosed |
| JP-H1036203-A | COMPOSITION FOR FUMIGATING SOIL AND FUMIGATION OF SOIL WITH THE SAME | MITSUI PETROCHEM IND LTD | 1998-02-10 | — | — | JP | disclosed |
| US-4455150-A | Chemically enhanced combustion of water-slurry fuels | OLEN KENNETH R | 1984-06-19 | — | — | US | disclosed |
| US-4455150-A | Chemically enhanced combustion of water-slurry fuels | OLEN KENNETH R | 1984-06-19 | — | — | US | disclosed |
| JP-S57134446-A | RECOVERY AND TREATMENT OF CALCIUM CHLORIDE FORMED AS A BY-PRODUCT IN THE PRODUCTION OF CHLOROPICRIN | MITSUI TOATSU CHEM INC | 1982-08-19 | — | — | JP | disclosed |