Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28314923 | 0.88 | ALDH1A1 (0.38) | CA12CA1CA2CA9CA14 | |
| SCHEMBL28278595 | 0.80 | CA12 (0.37) | CA12CA1CA2CA9CA14 | |
| SCHEMBL5698348 | 0.79 | ALDH1A1 (0.38) | CA12CA1CA2CA9CA14 | |
| SCHEMBL1668951 | 0.79 | ALDH1A1 (0.34) | CA12CA1CA2CA9CA14 | |
| SCHEMBL2937272 | 0.79 | CA12 (0.47) | CA12CA1CA2CA9CA14 | |
| SCHEMBL27906710 | 0.77 | LMNA (0.42) | CA1CA2CA9ALDH1A1LMNA | |
| SCHEMBL8562952 | 0.76 | ALDH1A1 (0.38) | CA12CA1CA2CA9CA14 | |
| SCHEMBL24020550 | 0.75 | NPC1 (0.36) | CA12CA1CA2CA9CA14 | |
| SCHEMBL27720962 | 0.75 | NPSR1 (0.37) | CA12CA1CA2CA9CA14 | |
| SCHEMBL28816343 | 0.74 | ALDH1A1 (0.45) | ALDH1A1LMNARAB9ANPC1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0936912-A4 | INHIBITORS OF CYSTEINE PROTEASE | SMITHKLINE BEECHAM CORP (US) | 1999-10-13 | — | — | EP | claimed |
| EP-0936912-A1 | INHIBITORS OF CYSTEINE PROTEASE | SMITHKLINE BEECHAM CORPORATION (US) | 1999-08-25 | — | — | EP | claimed |
| WO-1998005336-A1 | INHIBITORS OF CYSTEINE PROTEASE | SMITHKLINE BEECHAM CORPORATION (US) | 1998-02-12 | — | — | WO | claimed |