Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nitrosobenzene. 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 | 6/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CASP3 | P42574 | 2/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.47 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.42 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Nitrosobenzene SCHEMBL103117 | 0.91 | — | — | |
| Nitrosobenzene SCHEMBL28014686 | 0.91 | ALDH1A1 (0.59) | ALDH1A1HSD17B10TSHRCYP3A4HTT | |
| Nitrosobenzene SCHEMBL3176061 | 0.91 | — | — | |
| Nitrosobenzene SCHEMBL27497449 | 0.89 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRCYP3A4HTT | |
| Nitrosobenzene SCHEMBL27784202 | 0.89 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRCYP3A4HTT | |
| Nitrosobenzene SCHEMBL28102490 | 0.88 | ALDH1A1 (0.52) | ALDH1A1HSD17B10TSHRCYP3A4HTT | |
| Nitrosobenzene SCHEMBL30901881 | 0.88 | — | — | |
| Nitrosobenzene SCHEMBL26970890 | 0.88 | — | — | |
| Nitrosobenzene SCHEMBL28230134 | 0.88 | — | — | |
| Nitrosobenzene SCHEMBL27874353 | 0.88 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114728077-A | MCL-1 inhibitor antibody-drug conjugates and methods of use | 诺华股份有限公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-114728076-A | MCL-1 inhibitor antibody-drug conjugates and methods of use | 诺华股份有限公司 | 2022-07-08 | — | — | CN | disclosed |