Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 7/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | TSPO | P30536 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | FPR2 | P25090 | 1/20 | 0.40 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL11200962 | 1.00 | S1PR1 (0.44) | S1PR1NPC1ALDH1A1THRBKDM4E | |
| SCHEMBL11196619 | 0.87 | MMP8 (0.50) | NPC1ALDH1A1THRBKDM4EMAPT | |
| SCHEMBL11196634 | 0.87 | MMP8 (0.50) | NPC1ALDH1A1THRBKDM4EMAPT | |
| SCHEMBL11203444 | 0.85 | POLB (0.47) | NPC1ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL11203447 | 0.85 | POLB (0.47) | NPC1ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL11198230 | 0.83 | FPR2 (0.46) | NPC1MAPTCA1CA2GAA | |
| SCHEMBL11200361 | 0.83 | IDO1 (0.41) | KDM4EMAPTCA1CA2FPR2 | |
| SCHEMBL11200354 | 0.83 | IDO1 (0.41) | KDM4EMAPTCA1CA2FPR2 | |
| SCHEMBL11198227 | 0.83 | FPR2 (0.46) | NPC1MAPTCA1CA2GAA | |
| SCHEMBL11203103 | 0.81 | KDM4E (0.40) | NPC1ALDH1A1KDM4EMAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-4411912-A | Insecticidal isovaleric acid esters | ZOECON CORPORATION (US) | 1983-10-25 | — | — | US | disclosed |
| US-4243819-A | Substituted amino acids | ZOECON CORPORATION (US) | 1981-01-06 | — | — | US | disclosed |