Known targets — ChEMBL curated mechanism
CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1
The experimentally established mechanism targets of Paranitrobenzyl Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Paranitrobenzyl Alcohol SCHEMBL114620 | 0.84 | TSHR (0.69) | TSHRCYP2C19CYP1A2LOXL2ALDH1A1 | |
| Paranitrobenzyl Alcohol SCHEMBL5724094 | 0.83 | SLC1A3 (0.46) | TSHRKMT2AMEN1CYP2C19CYP1A2 | |
| Paranitrobenzyl Alcohol SCHEMBL8707517 | 0.81 | TSHR (0.53) | TSHRKMT2AMEN1CYP2C19LOXL2 | |
| Lactic Acid SCHEMBL11907454 | 0.81 | SLC7A5 (0.49) | TSHRKMT2AMEN1CYP2C19NPC1 | |
| Paranitrobenzyl Alcohol SCHEMBL5689999 | 0.81 | TSHR (0.56) | TSHRKMT2AMEN1CYP2C19CYP1A2 | |
| Paranitrobenzyl Alcohol SCHEMBL28621041 | 0.80 | ALDH1A1 (0.64) | TSHRKMT2AMEN1CYP2C19CYP1A2 | |
| Nitrobenzene SCHEMBL28483988 | 0.80 | ALDH1A1 (0.64) | TSHRKMT2AMEN1TDP1NPC1 | |
| SCHEMBL17154335 | 0.78 | POLB (0.63) | TSHRKMT2AMEN1CYP2C19CYP1A2 | |
| SCHEMBL11007611 | 0.78 | MEN1 (0.56) | TSHRKMT2AMEN1CYP2C19CYP1A2 | |
| SCHEMBL14883654 | 0.78 | MEN1 (0.56) | TSHRKMT2AMEN1CYP2C19CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117658802-A | Method for preparing lactate by catalyzing alcoholysis of polylactic acid by ionic liquid | 中国科学院化学研究所 | 2024-03-08 | — | — | CN | disclosed |