Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16472556 | 0.70 | CYP3A4 (0.44) | CYP2D6CYP3A4MEN1MAPTKMT2A | |
| SCHEMBL13347978 | 0.68 | ALOX15 (0.41) | MAPTALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL4689086 | 0.68 | KDM4E (0.42) | CYP2D6CYP3A4MEN1MAPTKMT2A | |
| SCHEMBL8024405 | 0.64 | MEN1 (0.45) | CYP2D6CYP3A4MEN1MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL6999098 | 0.63 | LMNA (0.46) | CYP2D6CYP3A4MEN1MAPTKMT2A | |
| SCHEMBL6582757 | 0.62 | KDM4E (0.46) | CYP2D6CYP3A4MEN1MAPTKMT2A | |
| SCHEMBL8410022 | 0.61 | PNMT (0.50) | CYP2D6CYP3A4MEN1MAPTKMT2A | |
| SCHEMBL265187 | 0.61 | KDM4E (0.49) | CHRNA7KDM4E | |
| SCHEMBL30422918 | 0.61 | KDM4E (0.49) | CHRNA7KDM4E | |
| SCHEMBL8005199 | 0.60 | CYP3A4 (0.44) | CYP3A4MEN1MAPTKMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7053082-B1 | 2,3-benzodiazepine derivatives | EGIS GYOGYSZERGYAR RT. (HU) | 2006-05-30 | — | — | US | disclosed |