Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KAT2B | Q92831 | 6/20 | 0.48 |
| ▸ | NQO2 | P16083 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11935076 | 0.93 | NQO2 (0.49) | KAT2BNQO2MAPTHTTALDH1A1 | |
| SCHEMBL6369704 | 0.91 | NQO2 (0.47) | NQO2MAPTHTTALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL4955142 | 0.89 | NQO2 (0.46) | KAT2BNQO2MAPTHTTALDH1A1 | |
| SCHEMBL6369919 | 0.89 | NQO2 (0.54) | NQO2MAPTHTTALDH1A1CYP1A2 | |
| SCHEMBL6377800 | 0.89 | NQO2 (0.54) | NQO2MAPTHTTALDH1A1CYP1A2 | |
| SCHEMBL24671122 | 0.89 | ALDH1A1 (0.45) | KAT2BNQO2MAPTHTTALDH1A1 | |
| Hydrochloric Acid SCHEMBL4953305 | 0.87 | NQO2 (0.53) | NQO2MAPTHTTALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL4954718 | 0.87 | NQO2 (0.53) | NQO2MAPTHTTALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL5461317 | 0.87 | ALDH1A1 (0.43) | KAT2BNQO2MAPTHTTALDH1A1 | |
| SCHEMBL7136500 | 0.86 | KAT2B (0.57) | KAT2BNQO2MAPTHTTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1321453-A2 | N-(Aminopropyl)-toluenediamines and their use as epoxy curing agents | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2003-06-25 | — | — | EP | disclosed |
| US-6441238-B1 | USING N-AMINOPROPYLTOLUENEDIAMINE | AIR PRODUCTS AND CHEMICALS, INC. | 2002-08-27 | — | — | US | disclosed |