Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 6/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12798916 | 0.94 | AAK1 (0.54) | AAK1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2776828 | 0.90 | AAK1 (0.50) | AAK1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2777906 | 0.89 | AAK1 (0.59) | AAK1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2777481 | 0.85 | AAK1 (0.56) | AAK1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL16927242 | 0.85 | AAK1 (0.56) | AAK1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2777478 | 0.85 | AAK1 (0.56) | AAK1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL16927322 | 0.85 | AAK1 (0.55) | AAK1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2779233 | 0.85 | AAK1 (0.55) | AAK1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2779366 | 0.84 | AAK1 (0.56) | AAK1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL12798922 | 0.84 | AAK1 (0.55) | AAK1HDAC3HDAC4HDAC1HDAC7 |
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-2318376-B1 | BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2015-07-29 | — | — | EP | claimed |
| EP-2318376-B1 | BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2015-07-29 | — | — | EP | disclosed |