Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.65 |
| ▸ | CA1 | P00915 | 2/20 | 0.65 |
| ▸ | CA2 | P00918 | 2/20 | 0.65 |
| ▸ | CA4 | P22748 | 2/20 | 0.65 |
| ▸ | CA6 | P23280 | 2/20 | 0.65 |
| ▸ | CA7 | P43166 | 2/20 | 0.65 |
| ▸ | CA9 | Q16790 | 2/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.65 |
| ▸ | TPMT | P51580 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | TTR | P02766 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6619936 | 0.94 | CA12 (0.65) | CA12CA1CA2CA4CA6 | |
| SCHEMBL6622310 | 0.87 | MAPT (0.59) | CA12CA1CA2CA4CA6 | |
| SCHEMBL1015345 | 0.84 | CA12 (0.73) | CA12CA1CA2CA4CA6 | |
| SCHEMBL1554712 | 0.83 | CA12 (0.71) | CA12CA1CA2CA4CA6 | |
| Veratric Acid SCHEMBL114848 | 0.80 | CA12 (1.00) | CA12CA1CA2CA4CA6 | |
| Veratric Acid SCHEMBL29386353 | 0.80 | CA12 (1.00) | CA12CA1CA2CA4CA6 | |
| Veratric Acid SCHEMBL976032 | 0.80 | CA12 (1.00) | CA12CA1CA2CA4CA6 | |
| SCHEMBL2564619 | 0.80 | CA12 (0.71) | CA12CA1CA2CA4CA6 | |
| SCHEMBL22064771 | 0.79 | CA12 (0.65) | CA12CA1CA2CA4CA6 | |
| SCHEMBL18031240 | 0.79 | CA12 (0.65) | CA12CA1CA2CA4CA6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1067894-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2004-09-08 | — | — | EP | disclosed |
| US-6518267-B1 | Protease inhibitors | SMITHKLINE BEECHAM CORPORATION | 2003-02-11 | — | — | US | disclosed |
| EP-1067894-A2 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2001-01-17 | — | — | EP | disclosed |
| WO-1999059526-A2 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-11-25 | — | — | WO | disclosed |