Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.37 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
| ▸ | POLQ | O75417 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7891310 | 0.81 | CYP2C19 (0.41) | AKT1NPSR1TRPM8TGM2ALDH1A1 | |
| SCHEMBL3938034 | 0.80 | NPSR1 (0.43) | NPSR1CES1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL27490821 | 0.80 | ALDH1A1 (0.40) | AKT1NPSR1TRPM8TGM2ALDH1A1 | |
| SCHEMBL1008397 | 0.78 | NPSR1 (0.44) | NPSR1CES1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL21392794 | 0.76 | KMT2A (0.40) | AKT1ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6611167 | 0.75 | AKT1 (0.43) | AKT1NPSR1TRPM8TGM2ALDH1A1 | |
| SCHEMBL1067570 | 0.75 | NPSR1 (0.41) | NPSR1CES1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL7827701 | 0.75 | NPSR1 (0.41) | NPSR1TRPM8CES1ALDH1A1CYP3A4 | |
| SCHEMBL28247945 | 0.75 | NPSR1 (0.41) | NPSR1CES1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL11370851 | 0.75 | NPSR1 (0.41) | NPSR1CES1ALDH1A1CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0730454-A4 | ANTIARRHYTHMIC BENZODIAZEPINES | MERCK & CO INC (US) | 2003-06-04 | — | — | EP | disclosed |
| EP-0730454-A1 | ANTIARRHYTHMIC BENZODIAZEPINES | MERCK & CO. INC. (US) | 1996-09-11 | — | — | EP | disclosed |