Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.66 |
| ▸ | CES2 | O00748 | 1/20 | 0.62 |
| ▸ | CES1 | P23141 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.51 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.51 |
| ▸ | SLC25A1 | P53007 | 1/20 | 0.51 |
| ▸ | F2 | P00734 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.50 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.50 |
| ▸ | ELANE | P08246 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Nitric Acid SCHEMBL29757385 | 0.86 | TP53 (0.58) | TP53ALDH1A1TDP1L3MBTL1KDM4E | |
| SCHEMBL132618 | 0.86 | TP53 (1.00) | TP53ALDH1A1TDP1CES2CES1 | |
| SCHEMBL29490968 | 0.86 | TP53 (1.00) | TP53ALDH1A1TDP1CES2CES1 | |
| SCHEMBL27709081 | 0.86 | TP53 (1.00) | TP53ALDH1A1TDP1CES2CES1 | |
| SCHEMBL14984180 | 0.85 | ALDH1A1 (0.68) | TP53ALDH1A1TDP1CES2CES1 | |
| Dinitrophenylene SCHEMBL27287736 | 0.85 | TP53 (0.67) | TP53ALDH1A1TDP1CES2CES1 | |
| Chloromethane SCHEMBL27763001 | 0.85 | TP53 (0.89) | TP53ALDH1A1CES2CES1TSHR | |
| Hydrochloric Acid SCHEMBL3199181 | 0.84 | TP53 (0.96) | TP53ALDH1A1TDP1CES2CES1 | |
| Ammonia Solution, Strong SCHEMBL1734091 | 0.84 | TP53 (0.96) | TP53ALDH1A1TDP1CES2CES1 | |
| SCHEMBL8816405 | 0.84 | TP53 (0.96) | TP53ALDH1A1TDP1CES2CES1 |
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-100546976-C | Alkylating agent and they purposes based on N-methyl-p-nitroaniline as prodrug | AUCKLAND UNISERVICES LTD (NZ) | 2009-10-07 | — | — | CN | disclosed |
| CN-1711236-A | Nitroaniline-based alkylating agents and their use as prodrugs | AUCKLAND UNISERVICES LTD (NZ) | 2005-12-21 | — | — | CN | disclosed |