Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16292891 | 0.85 | CYP3A4 (0.42) | DRD1CYP3A4CYP2D6CYP1A2NFKB1 | |
| SCHEMBL668759 | 0.85 | CYP3A4 (0.42) | DRD1CYP3A4CYP2D6CYP1A2NFKB1 | |
| SCHEMBL29053288 | 0.85 | CYP3A4 (0.42) | DRD1CYP3A4CYP2D6CYP1A2NFKB1 | |
| SCHEMBL28765143 | 0.77 | CYP3A4 (0.55) | DRD1CYP3A4TDP1KDM4EESR1 | |
| SCHEMBL23581097 | 0.74 | CYP3A4 (0.46) | DRD1CYP3A4TDP1KDM4EESR1 | |
| SCHEMBL10024962 | 0.74 | CYP3A4 (0.46) | DRD1CYP3A4CYP1A2LMNATDP1 | |
| SCHEMBL2846076 | 0.74 | CYP3A4 (0.46) | DRD1CYP3A4TDP1KDM4EESR1 | |
| SCHEMBL28141110 | 0.74 | CYP3A4 (0.46) | DRD1CYP3A4CYP1A2LMNATDP1 | |
| SCHEMBL20873230 | 0.72 | TDP1 (0.44) | DRD1CYP3A4CYP1A2ALDH1A1TDP1 | |
| SCHEMBL7089620 | 0.71 | CYP3A4 (0.42) | DRD1CYP3A4CYP1A2LMNAALDH1A1 |
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-104831296-B | A kind of metal pickling corrosion inhibitor, its preparation and application | 四川理工学院 | 2017-09-15 | — | — | CN | disclosed |