Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 6/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18482462 | 0.87 | AAK1 (0.43) | AAK1KMT2APOLBMAPTKDM4E | |
| SCHEMBL20468458 | 0.87 | AAK1 (0.52) | AAK1MAPTKDM4E | |
| SCHEMBL18484553 | 0.86 | AAK1 (0.42) | AAK1KMT2APOLBMAPTKDM4E | |
| SCHEMBL13233324 | 0.80 | CYP1A2 (0.60) | KMT2APOLBKDM4EPKMMEN1 | |
| SCHEMBL4124111 | 0.77 | DDAH1 (0.65) | POLBPKMCYP3A4CYP1A2CYP2D6 | |
| SCHEMBL20054433 | 0.77 | AAK1 (0.52) | AAK1KMT2APOLBMAPTKDM4E | |
| SCHEMBL19521623 | 0.77 | ALDH1A1 (0.48) | AAK1MAPTKDM4EL3MBTL1CYP3A4 | |
| SCHEMBL15996247 | 0.75 | KMT2A (0.57) | AAK1KMT2APOLBMEN1CACNA1B | |
| SCHEMBL27825039 | 0.75 | DDAH1 (0.62) | AAK1MAPTKDM4EPKMTDP1 | |
| SCHEMBL15747145 | 0.75 | KMT2A (0.57) | AAK1KMT2APOLBMEN1CACNA1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017023631-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-02-09 | — | — | WO | disclosed |