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 | 9/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11507269 | 0.82 | ALDH1A1 (0.59) | ALDH1A1HSD17B10KDM4EPOLBESR1 | |
| Trinitrophenol SCHEMBL339138 | 0.82 | LMNA (0.64) | ALDH1A1ESR1RAB9ATSHRTDP1 | |
| Trinitrophenol SCHEMBL339139 | 0.82 | LMNA (0.64) | ALDH1A1ESR1RAB9ATSHRTDP1 | |
| Butyl 2-Aminobenzoate SCHEMBL869504 | 0.81 | ALDH1A1 (1.00) | ALDH1A1HSD17B10KDM4EPOLBRAB9A | |
| Butyl 2-Aminobenzoate SCHEMBL30082054 | 0.81 | ALDH1A1 (1.00) | ALDH1A1HSD17B10KDM4EPOLBRAB9A | |
| SCHEMBL3387460 | 0.78 | TSHR (0.69) | ALDH1A1HSD17B10KDM4EPOLBESR1 | |
| SCHEMBL11136289 | 0.78 | ALDH1A1 (0.61) | ALDH1A1HSD17B10KDM4EPOLBESR1 | |
| SCHEMBL22773398 | 0.78 | ALDH1A1 (0.61) | ALDH1A1HSD17B10KDM4EPOLBESR1 | |
| SCHEMBL8740463 | 0.78 | ALDH1A1 (0.73) | ALDH1A1HSD17B10KDM4EPOLBESR1 | |
| Trinitrophenol SCHEMBL29195400 | 0.77 | GPR35 (0.51) | ALDH1A1HSD17B10KDM4EPOLBESR1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1696855-A1 | DERMAL DRUG DELIVERY SYSTEM | Medpharm Limited (GB) | 2006-09-06 | — | — | EP | claimed |
| US-20060130266-A1 | Dermal drug delivery system | MEDPHARM LIMITED (GB) | 2006-06-22 | — | — | US | claimed |
| WO-2005058226-A1 | DERMAL DRUG DELIVERY SYSTEM | MEDPHARM LIMITED (GB) | 2005-06-30 | — | — | WO | claimed |
| US-20150328109-A1 | DERMAL COMPOSITIONS CONTAINING UNNATURAL HYGROSCOPIC AMINO ACIDS | MEDPHARM LIMITED (GB) | 2015-11-19 | — | — | US | disclosed |
| EP-2916811-A1 | DERMAL COMPOSITIONS CONTAINING UNNATURAL HYGROSCOPIC AMINO ACIDS | MedPharm Limited (GB) | 2015-09-16 | — | — | EP | disclosed |
| US-20150037394-A1 | DRUG DELIVERY FORMULATIONS | KING'S COLLEGE LONDON | 2015-02-05 | — | — | US | disclosed |
| CN-103930093-A | Drug delivery formulations | KING S COLLEGE LONDON | 2014-07-16 | — | — | CN | disclosed |
| WO-2014072747-A1 | DERMAL COMPOSITIONS CONTAINING UNNATURAL HYGROSCOPIC AMINO ACIDS | MEDPHARM LIMITED (GB) | 2014-05-15 | — | — | WO | disclosed |
| EP-2723318-A2 | DRUG DELIVERY FORMULATIONS | King's College London (GB) | 2014-04-30 | — | — | EP | disclosed |
| US-8349297-B2 | Topical formulations | MEDPHARM LIMITED (GB) | 2013-01-08 | — | — | US | disclosed |
| WO-2012175996-A2 | DRUG DELIVERY FORMULATIONS | KING'S COLLEGE LONDON (GB) | 2012-12-27 | — | — | WO | disclosed |
| EP-1931310-B1 | Monophasic film-forming composition for topical administration | MEDPHARM LTD (GB) | 2012-06-06 | — | — | EP | disclosed |
| US-20090191271-A1 | Topical Formulations | MED PHARM LIMITED (GB) | 2009-07-30 | — | — | US | disclosed |
| CN-1312171-C | DNA vaccine encoding HIV accessory protein | UNIV PENNSYLVANIA (US) | 2007-04-25 | — | — | CN | disclosed |
| US-20060130266-A1 | Dermal drug delivery system | MEDPHARM LIMITED (GB) | 2006-06-22 | — | — | US | disclosed |
| CN-1636013-A | DNA vaccines encoding HIV accessory proteins | UNIV PENNSYLVANIA (US) | 2005-07-06 | — | — | CN | 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 (1 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-20150328109-A1 | DERMAL COMPOSITIONS CONTAINING UNNATURAL HYGROSCOPIC AMINO ACIDS | AADAT, HACL2, SLC6A15 | ALDH1A1 1604/4885HSD17B10 788/4885KDM4E 4720/4885 |
“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.