Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPN1 | P15169 | 2/20 | 0.49 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.49 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.39 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.39 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.39 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.39 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.38 |
| ▸ | F2R | P25116 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21814100 | 0.87 | CTSK (0.44) | CTSKANPEPEPHX1 | |
| SCHEMBL21813554 | 0.87 | CTSK (0.44) | CTSKANPEPEPHX1 | |
| SCHEMBL21813551 | 0.87 | CTSK (0.44) | CTSKANPEPEPHX1 | |
| SCHEMBL22300261 | 0.84 | CPN1 (0.44) | CPN1CPB2CTSKGABRA5GABRB2 | |
| SCHEMBL5548594 | 0.78 | CPN1 (0.49) | CPN1CPB2GABRA5GABRB2SLC6A1 | |
| SCHEMBL27180326 | 0.77 | CTSK (0.38) | CTSK | |
| SCHEMBL27180327 | 0.77 | CTSK (0.38) | CTSK | |
| SCHEMBL21334736 | 0.76 | CPN1 (0.58) | CPN1CPB2GABRA5GABRB2SLC6A1 | |
| SCHEMBL13406394 | 0.76 | CPN1 (0.58) | CPN1CPB2GABRA5GABRB2SLC6A1 | |
| SCHEMBL2549209 | 0.75 | ACACB (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1515724-B1 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2009-10-21 | — | — | EP | claimed |