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 | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 7/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | HPGD | P15428 | 2/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | TTR | P02766 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.63 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.63 |
| ▸ | RECQL | P46063 | 1/20 | 0.63 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.63 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Trinitrophenol SCHEMBL650126 | 0.90 | GPR35 (0.67) | GPR35ALDH1A1KMT2AMEN1HPGD | |
| Trinitrophenol SCHEMBL27383317 | 0.89 | GPR35 (0.65) | GPR35ALDH1A1KMT2AMEN1HPGD | |
| Trinitrophenol SCHEMBL10414100 | 0.88 | GPR35 (0.59) | GPR35ALDH1A1KMT2AMEN1HPGD | |
| Trinitrophenol SCHEMBL29086892 | 0.88 | GPR35 (0.74) | GPR35ALDH1A1KMT2AMEN1HPGD | |
| Trinitrophenol SCHEMBL23496617 | 0.88 | GPR35 (0.74) | GPR35ALDH1A1KMT2AMEN1HPGD | |
| Trinitrophenol SCHEMBL253750 | 0.88 | GPR35 (0.79) | GPR35ALDH1A1KMT2AMEN1HPGD | |
| Trinitrophenol SCHEMBL8744 | 0.88 | GPR35 (0.79) | GPR35ALDH1A1KMT2AMEN1HPGD | |
| Trinitrophenol SCHEMBL9140811 | 0.86 | GPR35 (0.76) | GPR35ALDH1A1KMT2AMEN1HPGD | |
| Trinitrophenol SCHEMBL2260890 | 0.86 | GPR35 (0.76) | GPR35ALDH1A1KMT2AMEN1HPGD | |
| Trinitrophenol SCHEMBL5908864 | 0.86 | GPR35 (0.76) | GPR35ALDH1A1KMT2AMEN1HPGD |
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-8211674-B2 | Method of making theanine | TAIYOKAGAKU CO., LTD. (JP) | 2012-07-03 | — | — | US | disclosed |
| US-20070224667-A1 | Method of Making Theanine | TAIYOKAGAKU CO., LTD. (JP) | 2007-09-27 | — | — | US | disclosed |
| EP-1764416-A1 | METHOD OF PRODUCING THEANINE | Taiyokagaku Co., Ltd. (JP) | 2007-03-21 | — | — | EP | disclosed |
| US-3956390-A | Preparation of amines | SCHERING CORPORATION (US) | 1976-05-11 | — | — | US | disclosed |