Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 2/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | TNKS | O95271 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL844993 | 0.97 | MMP2 (0.40) | PAX8S1PR1CYP3A4CYP2D6HRH3 | |
| SCHEMBL10119509 | 0.92 | PAX8 (0.35) | PAX8S1PR1CYP3A4CYP2D6HRH3 | |
| SCHEMBL845778 | 0.89 | CTSS (0.43) | S1PR1CYP3A4CYP2D6CYP2C9KMT2A | |
| SCHEMBL2197099 | 0.84 | RXFP3 (0.38) | S1PR1CYP3A4CYP2D6HRH3CYP2C9 | |
| SCHEMBL873144 | 0.81 | HDAC8 (0.37) | S1PR1CYP3A4CYP2D6CYP2C9KMT2A | |
| SCHEMBL845491 | 0.79 | POLB (0.55) | KMT2AMEN1 | |
| SCHEMBL13272453 | 0.78 | HDAC8 (0.37) | S1PR1CYP3A4CYP2D6CYP2C9KMT2A | |
| SCHEMBL845768 | 0.77 | POLB (0.49) | MMP2 | |
| SCHEMBL27896413 | 0.77 | CYP1A2 (0.39) | CYP3A4HRH3CYP2C9CYP17A1CYP19A1 | |
| SCHEMBL845401 | 0.77 | ALDH1A1 (0.45) | PAX8HRH3CYP2C9KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| US-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |