Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL679618 | 0.96 | CCR5 (0.52) | CCR5PKMEPHX1RAB9ANPC1 | |
| SCHEMBL7022369 | 0.94 | CCR5 (0.50) | CCR5PKMEPHX1RAB9ANPC1 | |
| SCHEMBL7021364 | 0.92 | CCR5 (0.48) | CCR5PKMEPHX1RAB9ANPC1 | |
| SCHEMBL7024470 | 0.90 | NPY5R (0.49) | CCR5NPY5R | |
| SCHEMBL18629454 | 0.88 | CCR5 (0.47) | CCR5PKMEPHX1RAB9ANPC1 | |
| SCHEMBL2869853 | 0.81 | EPHX1 (0.56) | PKMEPHX1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL135838 | 0.81 | EPHX1 (0.56) | PKMEPHX1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL11608613 | 0.81 | EPHX1 (0.56) | PKMEPHX1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL9451038 | 0.81 | EPHX1 (0.56) | PKMEPHX1RAB9ANPC1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3720424 | 0.79 | PKM (0.54) | PKMEPHX1RAB9ANPC1SMN1; SMN2 |
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-3141252-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | Vertex Pharmaceuticals Inc. (US) | 2017-03-15 | — | — | EP | disclosed |
| EP-2442809-B1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMA (US) | 2016-08-31 | — | — | EP | disclosed |