Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 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 | |
|---|---|---|---|---|
| SCHEMBL7422184 | 1.00 | BRD4 (0.38) | BRD4CREBBPCYP2D6MEN1RECQL | |
| SCHEMBL5540169 | 0.75 | CYP2D6 (0.36) | CYP2D6MEN1RECQLKMT2ANOS3 | |
| SCHEMBL10388552 | 0.75 | CYP2D6 (0.36) | CYP2D6MEN1RECQLKMT2ANOS3 | |
| SCHEMBL1451031 | 0.75 | CYP2D6 (0.43) | CYP2D6MEN1RECQLKMT2ANOS3 | |
| SCHEMBL21065477 | 0.72 | TRPA1 (0.36) | BRD4CREBBPCYP2D6MEN1RECQL | |
| SCHEMBL315647 | 0.71 | BRD4 (0.54) | BRD4CREBBPNOS3NOS2ACHE | |
| SCHEMBL840754 | 0.71 | NOS3 (0.47) | BRD4CREBBPCYP2D6MEN1RECQL | |
| SCHEMBL13620740 | 0.67 | TRPA1 (0.38) | BRD4CREBBPCYP2D6MEN1RECQL | |
| SCHEMBL30358244 | 0.67 | TRPA1 (0.38) | BRD4CREBBPCYP2D6MEN1RECQL | |
| SCHEMBL20404734 | 0.67 | TRPA1 (0.38) | BRD4CREBBPCYP2D6MEN1RECQL |
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-0815103-A1 | TRYPSIN AND THROMBIN INHIBITORS | Novartis AG (CH) | 1998-01-07 | — | — | EP | disclosed |
| WO-1996029327-A1 | TRYPSIN AND THROMBIN INHIBITORS | NOVARTIS AG (CH) | 1996-09-26 | — | — | WO | disclosed |