Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.63 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.53 |
| ▸ | F2 | P00734 | 1/20 | 0.53 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.52 |
| ▸ | WNT3A | P56704 | 2/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.46 |
| ▸ | ACHE | P22303 | 3/20 | 0.46 |
| ▸ | HTR4 | Q13639 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL105928 | 0.88 | KDM4E (0.72) | KDM4EALDH1A1HPGDENPP2HSD17B10 | |
| Hydrochloric Acid SCHEMBL698541 | 0.87 | KDM4E (0.70) | KDM4EALDH1A1HPGDENPP2HSD17B10 | |
| Bromide SCHEMBL6614789 | 0.87 | KDM4E (0.70) | KDM4EALDH1A1HPGDENPP2HSD17B10 | |
| Formaldehyde SCHEMBL27620564 | 0.85 | KDM4E (0.68) | KDM4EALDH1A1HPGDENPP2HSD17B10 | |
| SCHEMBL21489951 | 0.83 | SMYD3 (0.72) | SMYD3CHRNA7MAPK14 | |
| SCHEMBL19710019 | 0.83 | SMYD3 (0.72) | SMYD3CHRNA7MAPK14 | |
| Isopropyl Alcohol SCHEMBL28872249 | 0.81 | KDM4E (0.62) | KDM4EALDH1A1HPGDENPP2HSD17B10 | |
| Trifluoroacetic Acid SCHEMBL27739600 | 0.79 | KDM4E (0.60) | KDM4EALDH1A1HPGDENPP2HSD17B10 | |
| Hydrazine SCHEMBL27365039 | 0.78 | ALDH1A1 (0.93) | KDM4EALDH1A1HPGDENPP2HSD17B10 | |
| SCHEMBL50542 | 0.78 | ALDH1A1 (1.00) | KDM4EALDH1A1HPGDENPP2HSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1807398-B1 | NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-06-25 | — | — | EP | disclosed |