Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | IKBKB | O14920 | 2/20 | 0.49 |
| ▸ | CDK2 | P24941 | 8/20 | 0.48 |
| ▸ | CDK1 | P06493 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ACR | P10323 | 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 | |
|---|---|---|---|---|
| SCHEMBL13918111 | 0.95 | IKBKB (0.54) | CA12CA1CA2CA9IKBKB | |
| SCHEMBL4466766 | 0.88 | CDK2 (0.62) | CA12CA1CA2CA9IKBKB | |
| SCHEMBL13931766 | 0.87 | CDK2 (0.48) | CA12CA1CA2CA9IKBKB | |
| SCHEMBL4475239 | 0.87 | CDK2 (0.62) | CA12CA1CA2CA9CDK2 | |
| SCHEMBL4476707 | 0.87 | CDK2 (0.62) | CA12CA1CA2CA9IKBKB | |
| SCHEMBL13931858 | 0.85 | CDK2 (0.46) | CA12CA1CA2CA9IKBKB | |
| SCHEMBL4473898 | 0.84 | CDK1 (0.68) | CA12CA1CA2CA9CDK2 | |
| SCHEMBL4460780 | 0.84 | CDK2 (0.65) | CA12CA1CA2CA9CDK2 | |
| SCHEMBL4467252 | 0.82 | CDK2 (0.64) | CA12CA1CA2CA9IKBKB | |
| SCHEMBL4466637 | 0.81 | CDK2 (0.65) | CA12CA1CA2CA9IKBKB |
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-1597234-A4 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2007-11-21 | — | — | EP | disclosed |
| EP-1597234-A2 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-11-23 | — | — | EP | disclosed |
| WO-2004076414-A2 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-09-10 | — | — | WO | disclosed |