Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9331349 | 0.89 | CYP2C19 (0.44) | CYP2C19CYP1A2CYP2C9PDE10ATSHR | |
| SCHEMBL10463889 | 0.89 | CYP2C19 (0.44) | CYP2C19CYP1A2CYP2C9PDE10ATSHR | |
| SCHEMBL10463094 | 0.82 | CYP2C19 (0.42) | CYP2C19CYP1A2CYP2C9PDE10ATSHR | |
| SCHEMBL10461984 | 0.81 | CYP2C19 (0.41) | CYP2C19CYP1A2CYP2C9PDE10ATSHR | |
| SCHEMBL9331283 | 0.80 | CYP2C19 (0.42) | CYP2C19CYP1A2CYP2C9PDE10ATSHR | |
| SCHEMBL12441053 | 0.79 | CYP1A2 (0.47) | CYP2C19CYP1A2CYP2C9PDE10ATSHR | |
| SCHEMBL26031841 | 0.78 | HSD17B10 (0.68) | CYP2C19HSD17B10ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL9333910 | 0.75 | COMT (0.44) | CYP2C19CYP1A2CYP2C9PDE10ATSHR | |
| SCHEMBL12103427 | 0.75 | ALDH1A1 (0.42) | CYP2C19CYP1A2HSD17B10ALDH1A1NPC1 | |
| SCHEMBL10462642 | 0.75 | BCL2L1 (0.41) | CYP2C19CYP1A2CYP2C9HSD17B10ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4964896-A | GAMETOCIDES | MONSANTO COMPANY (US) | 1990-10-23 | — | — | US | disclosed |
| US-4936904-A | Aryl-4-oxonicotinates useful for inducing male sterility in cereal grain plants | MONSANTO TECHNOLOGY LLC | 1990-06-26 | — | — | US | disclosed |
| US-4714492-A | HYBRIDIZATION AGENTS | ROHM AND HAAS COMPANY (US) | 1987-12-22 | — | — | US | disclosed |