Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Trinitrotoluene. 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 | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 6/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | TTR | P02766 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Trinitrotoluene SCHEMBL7751233 | 0.98 | GPR35 (0.58) | GPR35ALDH1A1KMT2AMEN1TDP1 | |
| Trinitrotoluene SCHEMBL29568894 | 0.96 | GPR35 (0.56) | GPR35ALDH1A1KMT2AMEN1TDP1 | |
| Trinitrotoluene SCHEMBL27786014 | 0.93 | GPR35 (0.62) | GPR35ALDH1A1KMT2AMEN1TDP1 | |
| Trinitrotoluene SCHEMBL20676 | 0.93 | ALDH1A1 (0.61) | GPR35ALDH1A1KMT2AMEN1TDP1 | |
| Trinitrotoluene SCHEMBL891182 | 0.93 | ALDH1A1 (0.61) | GPR35ALDH1A1KMT2AMEN1TDP1 | |
| SCHEMBL12305492 | 0.92 | GPR35 (0.56) | GPR35ALDH1A1KMT2AMEN1TDP1 | |
| Trinitrotoluene SCHEMBL14966503 | 0.91 | ALDH1A1 (0.59) | GPR35ALDH1A1KMT2AMEN1TDP1 | |
| Trinitrotoluene SCHEMBL14966251 | 0.91 | ALDH1A1 (0.59) | GPR35ALDH1A1KMT2AMEN1TDP1 | |
| Trinitrotoluene SCHEMBL2566651 | 0.91 | ALDH1A1 (0.59) | GPR35ALDH1A1KMT2AMEN1TDP1 | |
| Trinitrotoluene SCHEMBL9101074 | 0.91 | ALDH1A1 (0.59) | GPR35ALDH1A1KMT2AMEN1TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050284414-A1 | Method and apparatus for detecting target objects | GARCIA MAURICE M | 2005-12-29 | — | — | US | disclosed |
| US-6843158-B2 | Method and apparatus for detecting target objects | GARCIA MAURICE M (US) | 2005-01-18 | — | — | US | disclosed |
| WO-2004017096-A2 | METHOD AND APPARATUS FOR DETECTING TARGET OBJECTS | GARCIA MAURICE M (US) | 2004-02-26 | — | — | WO | disclosed |
| US-20030126977-A1 | Method and apparatus for detecting target objects | GARCIA MAURICE M (US) | 2003-07-10 | — | — | US | disclosed |