Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 2/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | LIN28A | Q9H9Z2 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18163287 | 0.90 | ABCB1 (0.51) | HRH1CA12CA1CA2CA9 | |
| SCHEMBL24762639 | 0.90 | CA12 (0.54) | HRH1CA12CA1CA2CA9 | |
| SCHEMBL1826443 | 0.90 | HRH1 (0.50) | HRH1CA12CA1CA2CA9 | |
| SCHEMBL8907011 | 0.90 | HRH1 (0.50) | HRH1CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL10390264 | 0.89 | CA12 (0.53) | HRH1CA12CA1CA2CA9 | |
| Ammonia Solution, Strong SCHEMBL27690821 | 0.89 | CA12 (0.53) | HRH1CA12CA1CA2CA9 | |
| SCHEMBL29436004 | 0.89 | CA12 (0.49) | HRH1CA12CA1CA2CA9 | |
| SCHEMBL6001509 | 0.88 | HRH1 (0.52) | HRH1CA12CA1CA2CA9 | |
| SCHEMBL16861286 | 0.88 | CA12 (0.56) | HRH1CA12CA1CA2CA9 | |
| SCHEMBL2093165 | 0.88 | HRH1 (0.52) | HRH1CA12CA1CA2CA9 |
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-0977743-A1 | PROTEASE INHIBITORS | Smithkline Beecham (US) | 2000-02-09 | — | — | EP | disclosed |
| WO-1998049152-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-11-05 | — | — | WO | disclosed |