Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 12/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 12/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 12/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28317676 | 0.75 | ALDH1A1 (0.41) | CYP3A4TSHR | |
| SCHEMBL14264660 | 0.74 | CYP19A1 (0.59) | SLC6A2SLC6A4SLC6A3NPC1 | |
| SCHEMBL9870878 | 0.73 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2 | |
| SCHEMBL13698273 | 0.73 | THRB (0.43) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28317691 | 0.73 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL27288663 | 0.73 | SLC6A2 (0.50) | SLC6A2SLC6A4SLC6A3CYP2D6TP53 | |
| SCHEMBL2407 | 0.70 | SLC6A2 (0.65) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2 | |
| SCHEMBL1690562 | 0.70 | GSTO1 (0.53) | SLC6A2SLC6A4SLC6A3CYP2D6TSHR | |
| SCHEMBL15335800 | 0.70 | SLC6A2 (0.70) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL749492 | 0.70 | GSTO1 (0.53) | SLC6A2SLC6A4SLC6A3CYP2D6TSHR |
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-110072842-A | Molecules having pesticidal utility, and intermediates, compositions and methods related thereto | 美国陶氏益农公司 | 2019-07-30 | — | — | CN | disclosed |
| CN-109863131-A | Prepare the phenyl that (1R, 3R) -2,2- dihalo -3-(replaces) phenyl that replaces of cyclopropane-carboxylic acid and (1S, 3S) -2,2- dihalo -3-() cyclopropane-carboxylic acid method | 美国陶氏益农公司 | 2019-06-07 | — | — | CN | disclosed |