Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL845778 | 0.91 | CTSS (0.43) | HDAC8CTSSCTSKPOLBCYP2D6 | |
| SCHEMBL10119509 | 0.89 | PAX8 (0.35) | CYP2D6S1PR1CYP3A4CYP2C9MMP2 | |
| SCHEMBL873095 | 0.85 | HDAC8 (0.38) | HDAC8CTSSCTSKPOLBCYP2D6 | |
| SCHEMBL845768 | 0.82 | POLB (0.49) | HDAC8POLBMMP2ANPEPLMNA | |
| SCHEMBL845491 | 0.81 | POLB (0.55) | POLBLMNAKDM4EKDM1ARCOR1 | |
| SCHEMBL845345 | 0.81 | PAX8 (0.40) | CYP2D6S1PR1CYP3A4CYP2C9MMP2 | |
| SCHEMBL845165 | 0.80 | KDM4E (0.55) | CTSKPOLBLMNAKDM4EKDM1A | |
| SCHEMBL13272453 | 0.79 | HDAC8 (0.37) | HDAC8CTSSCTSKPOLBCYP2D6 | |
| SCHEMBL844993 | 0.78 | MMP2 (0.40) | CYP2D6S1PR1CYP3A4CYP2C9MMP2 | |
| SCHEMBL845118 | 0.78 | POLB (0.51) | POLBLMNAKDM4EKDM1ARCOR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |