Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of P-Nitrophenol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| P-Nitrophenol SCHEMBL14125735 | 0.92 | TDP1 (0.61) | TSHRTDP1CES1CES2SRD5A2 | |
| P-Nitrophenol SCHEMBL309332 | 0.92 | TDP1 (0.61) | TSHRTDP1CES1CES2SRD5A2 | |
| P-Nitrophenol SCHEMBL17289474 | 0.90 | TDP1 (0.59) | TSHRTDP1CES1CES2SRD5A2 | |
| P-Nitrophenol SCHEMBL27462973 | 0.87 | TDP1 (0.60) | TSHRTDP1CES1CES2SRD5A2 | |
| P-Nitrophenol SCHEMBL15203620 | 0.85 | ALDH1A1 (0.64) | TSHRTDP1CES1CES2SRD5A2 | |
| P-Nitrophenol SCHEMBL29806213 | 0.85 | CES1 (0.58) | TSHRTDP1CES1CA1CA2 | |
| Ethylene Glycol SCHEMBL28236042 | 0.85 | TSHR (0.71) | TSHRTDP1CES1CA1CA2 | |
| P-Nitrophenol SCHEMBL1839 | 0.85 | CES1 (0.58) | TSHRTDP1CES1CA1CA2 | |
| P-Nitrophenol SCHEMBL11048842 | 0.85 | CES1 (0.58) | TSHRTDP1CES1CA1CA2 | |
| P-Nitrophenol SCHEMBL19019931 | 0.84 | CRHBP (0.53) | TSHRTDP1CES1CES2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007047997-A2 | METHODS FOR REDUCING THE MITOGENICITY OF LECTIN COMPOSITIONS | SMARTCELLS, INC. (US) | 2007-04-26 | — | — | WO | disclosed |