Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.49 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | CFB | P00751 | 3/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.40 |
| ▸ | SCN10A | Q9Y5Y9 | 4/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL15116752 | 1.00 | AAK1 (0.49) | AAK1LCKCFBGABRA1GABRG2 | |
| SCHEMBL15116592 | 0.96 | AAK1 (0.48) | AAK1LCKCFBGABRA1GABRG2 | |
| SCHEMBL20054403 | 0.96 | AAK1 (0.48) | AAK1LCKCFBGABRA1GABRG2 | |
| SCHEMBL16391185 | 0.95 | AAK1 (0.48) | AAK1LCKCFBGABRA1GABRG2 | |
| SCHEMBL20054461 | 0.94 | AAK1 (0.46) | AAK1LCKCFBGABRA1GABRG2 | |
| SCHEMBL15116854 | 0.94 | AAK1 (0.46) | AAK1LCKCFBGABRA1GABRG2 | |
| SCHEMBL16409178 | 0.90 | AAK1 (0.44) | AAK1LCKCFBGABRA1GABRG2 | |
| SCHEMBL20221495 | 0.89 | AAK1 (0.45) | AAK1LCKCFBGABRA1GABRG2 | |
| SCHEMBL15116595 | 0.89 | AAK1 (0.45) | AAK1LCKCFBGABRA1GABRG2 | |
| SCHEMBL20054545 | 0.86 | AAK1 (0.64) | AAK1LCKSCN10A |
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-2802326-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-04-18 | — | — | EP | disclosed |