Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | BLM | P54132 | 1/20 | 0.64 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.63 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.63 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | APP | P05067 | 1/20 | 0.55 |
| ▸ | BCHE | P06276 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7356345 | 0.82 | NPC1 (0.65) | HDAC1HDAC2NPC1RAB9AAPP | |
| SCHEMBL7359166 | 0.82 | CYP3A4 (0.68) | CYP3A4CYP1A2CYP2D6KDM4EBLM | |
| SCHEMBL7335360 | 0.82 | CYP3A4 (0.62) | CYP3A4CYP1A2CYP2D6KDM4EBLM | |
| SCHEMBL7360114 | 0.82 | CYP3A4 (0.64) | CYP3A4CYP1A2CYP2D6KDM4EBLM | |
| SCHEMBL7326215 | 0.81 | CYP3A4 (0.67) | CYP3A4CYP1A2CYP2D6KDM4EBLM | |
| SCHEMBL7355951 | 0.81 | CYP3A4 (0.54) | CYP3A4HDAC1HDAC2MEN1KMT2A | |
| SCHEMBL7322931 | 0.80 | NPC1 (0.63) | KDM4EHDAC1HDAC2MEN1KMT2A | |
| SCHEMBL9491941 | 0.79 | CYP3A4 (0.61) | CYP3A4CYP1A2CYP2D6BLMHDAC1 | |
| SCHEMBL10338948 | 0.78 | CYP3A4 (0.74) | CYP3A4CYP1A2CYP2D6KDM4ECYP2C9 | |
| Hydrochloric Acid SCHEMBL6573436 | 0.77 | KCNH2 (0.70) | CYP3A4CYP1A2CYP2D6KDM4ECYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0852142-A1 | Diamines in the treatment of arrhythmia | SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) | 1998-07-08 | — | — | EP | disclosed |
| EP-0639973-A1 | DIAMINES IN THE TREATMENT OF ARRHYTHMIA | SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) | 1995-03-01 | — | — | EP | disclosed |
| WO-1993023024-A1 | DIAMINES IN THE TREATMENT OF ARRHYTHMIA | SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) | 1993-11-25 | — | — | WO | disclosed |