Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.41 |
| ▸ | PARP1 | P09874 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8824319 | 0.90 | GABRA1 (0.44) | GABRA1GABRB2KDM4EPARP1HSD17B10 | |
| SCHEMBL72113 | 0.84 | PARP1 (0.49) | GABRA1GABRB2KDM4EPARP1HSD17B10 | |
| SCHEMBL11876859 | 0.83 | KDM4E (0.39) | GABRA1GABRB2KDM4EPARP1HSD17B10 | |
| Hydrochloric Acid SCHEMBL7467552 | 0.83 | PARP1 (0.47) | GABRA1GABRB2KDM4EPARP1HSD17B10 | |
| SCHEMBL6321332 | 0.83 | PARP1 (0.47) | GABRA1GABRB2KDM4EPARP1HSD17B10 | |
| Charcoal, Activated SCHEMBL9345241 | 0.83 | PARP1 (0.47) | GABRA1GABRB2KDM4EPARP1HSD17B10 | |
| Hydrochloric Acid SCHEMBL8527465 | 0.83 | PARP1 (0.47) | GABRA1GABRB2KDM4EPARP1HSD17B10 | |
| Fluoride SCHEMBL28693457 | 0.83 | PARP1 (0.47) | GABRA1GABRB2KDM4EPARP1HSD17B10 | |
| SCHEMBL8754981 | 0.83 | KDM4E (0.47) | GABRA1GABRB2KDM4EPARP1HSD17B10 | |
| SCHEMBL83923 | 0.81 | KDM4E (0.50) | GABRA1GABRB2KDM4EPARP1HSD17B10 |
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-6017919-A | Compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2000-01-25 | — | — | US | disclosed |
| EP-0887340-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 1998-12-30 | — | — | EP | disclosed |