Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TEAD1 | P28347 | 3/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | LIPE | Q05469 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15793870 | 1.00 | KMT2A (0.40) | KMT2AHCRTR1HCRTR2POLBDRD2 | |
| SCHEMBL15794124 | 1.00 | KMT2A (0.40) | KMT2AHCRTR1HCRTR2POLBDRD2 | |
| SCHEMBL15793990 | 1.00 | KMT2A (0.40) | KMT2AHCRTR1HCRTR2POLBDRD2 | |
| SCHEMBL15794255 | 1.00 | KMT2A (0.40) | KMT2AHCRTR1HCRTR2POLBDRD2 | |
| SCHEMBL14815117 | 0.95 | KMT2A (0.39) | KMT2AHCRTR1HCRTR2POLBDRD2 | |
| SCHEMBL14815147 | 0.95 | KMT2A (0.39) | KMT2AHCRTR1HCRTR2POLBDRD2 | |
| SCHEMBL15793967 | 0.90 | PIK3CA (0.35) | HCRTR1HCRTR2LIPE | |
| SCHEMBL15794261 | 0.90 | PIK3CA (0.35) | HCRTR1HCRTR2LIPE | |
| SCHEMBL15799412 | 0.90 | PIK3CA (0.35) | HCRTR1HCRTR2LIPE | |
| SCHEMBL15793513 | 0.90 | PIK3CA (0.35) | HCRTR1HCRTR2LIPE |
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-2931727-A1 | DIAZEPINE DERIVATIVES USEFUL AS CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN | Abbvie Inc. (US) | 2015-10-21 | — | — | EP | disclosed |
| WO-2014093337-A1 | DIAZEPINE DERIVATIVES USEFUL AS CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN | ABBVIE, INC. (US) | 2014-06-19 | — | — | WO | disclosed |