Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL28092313 | 0.84 | ALDH1A1 (0.42) | ALDH1A1LMNATP53CES2CES1 | |
| Nitrobenzene SCHEMBL28843918 | 0.81 | ALDH1A1 (0.40) | ALDH1A1LMNATP53CES2CES1 | |
| Nitrobenzene SCHEMBL28833097 | 0.80 | ALDH1A1 (0.34) | ALDH1A1LMNATP53POLBKMT2A | |
| Nitrobenzene SCHEMBL28145602 | 0.80 | ALDH1A1 (0.38) | ALDH1A1LMNATP53CES2CES1 | |
| Nitrobenzene SCHEMBL28092428 | 0.78 | ALDH1A1 (0.35) | ALDH1A1LMNATP53CES2CES1 | |
| SCHEMBL28170651 | 0.73 | ALDH1A1 (0.39) | ALDH1A1TDP1MAPK1 | |
| Nitrobenzene SCHEMBL28097573 | 0.72 | ALDH1A1 (0.38) | ALDH1A1LMNATP53CES2CES1 | |
| SCHEMBL27647630 | 0.69 | SLC9A1 (0.31) | ALDH1A1KMT2AKDM4EMAPT | |
| SCHEMBL28162448 | 0.68 | — | — | |
| Nitrobenzene SCHEMBL27977272 | 0.67 | ALDH1A1 (0.67) | ALDH1A1LMNATP53CES2CES1 |
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-105849082-A | Method for producing nitro compound | 住友化学株式会社 | 2016-08-10 | — | — | CN | disclosed |