Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3669020 | 1.00 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C19MAPTALDH1A1 | |
| SCHEMBL11253369 | 0.93 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C19MAPTALDH1A1 | |
| SCHEMBL9712816 | 0.89 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C19MAPTALDH1A1 | |
| SCHEMBL9712883 | 0.86 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C19MAPTALDH1A1 | |
| SCHEMBL9713323 | 0.84 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C19MAPTALDH1A1 | |
| SCHEMBL11248148 | 0.83 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C19MAPTALDH1A1 | |
| SCHEMBL10606883 | 0.81 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C19MAPTALDH1A1 | |
| SCHEMBL27605122 | 0.81 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C19MAPTALDH1A1 | |
| SCHEMBL9712904 | 0.81 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C19MAPTALDH1A1 | |
| SCHEMBL11251312 | 0.80 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C19MAPTALDH1A1 |
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-3541188-A1 | CELLULOSE SYNTHASE INHIBITORS EFFECTIVE AS HERBICIDES | FMC Corporation (US) | 2019-09-25 | — | — | EP | disclosed |
| WO-2018094008-A1 | CELLULOSE SYNTHASE INHIBITORS EFFECTIVE AS HERBICIDES | FMC CORPORATION (US) | 2018-05-24 | — | — | WO | disclosed |