Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19597242 | 0.79 | CA1 (0.42) | CA1CA2CA9NPC1AR | |
| SCHEMBL14372181 | 0.78 | CA1 (0.35) | CA1CA2CA9MAPTSLC1A1 | |
| SCHEMBL14747277 | 0.78 | CA1 (0.35) | CA1CA2CA9MAPTSLC1A1 | |
| SCHEMBL754270 | 0.78 | CA1 (0.35) | CA1CA2CA9MAPTSLC1A1 | |
| SCHEMBL9344087 | 0.78 | CA1 (0.35) | CA1CA2CA9MAPTSLC1A1 | |
| SCHEMBL14747292 | 0.78 | CA1 (0.35) | CA1CA2CA9MAPTSLC1A1 | |
| SCHEMBL9045544 | 0.77 | SLC1A3 (0.39) | CA1CA2CA9NPC1AR | |
| SCHEMBL4190909 | 0.77 | CA1 (0.43) | CA1CA2CA9NPC1AR | |
| SCHEMBL7987728 | 0.76 | TAAR1 (0.43) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| SCHEMBL6654165 | 0.76 | TSHR (0.47) | CA1CA2CA9NPC1AR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0538366-A4 | — | — | 1994-04-20 | — | — | EP | disclosed |
| EP-0538366-A1 | RETROVIRAL PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-04-28 | — | — | EP | disclosed |
| WO-1992000750-A1 | RETROVIRAL PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1992-01-23 | — | — | WO | disclosed |