Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 10/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 10/20 | 0.39 |
| ▸ | 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 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 2/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | CHUK | O15111 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.35 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.35 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5155602 | 0.72 | BCAT2 (0.45) | MAP4K4ALDH1A1 | |
| SCHEMBL3969262 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL3963502 | 0.68 | — | — | |
| SCHEMBL27205294 | 0.68 | — | — | |
| SCHEMBL1002578 | 0.67 | CA2 (0.67) | MKNK1MKNK2CA12CA1CA2 | |
| Terephthalamide SCHEMBL23774 | 0.65 | PARP1 (0.71) | CA12CA1CA2CA9CA14 | |
| SCHEMBL15748062 | 0.64 | MKNK1 (0.53) | MKNK1MKNK2CA12CA1CA2 | |
| SCHEMBL28610546 | 0.64 | CA2 (0.56) | MKNK1MKNK2CA12CA1CA2 | |
| Terephthalamide SCHEMBL11512422 | 0.62 | PARP1 (0.67) | CA12CA1CA2CA9CA14 | |
| Terephthalamide SCHEMBL7508927 | 0.62 | PARP1 (0.67) | CA12CA1CA2CA9CA14 |
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-0907644-A4 | PHARMACEUTICAL PREPARATION | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| EP-0907644-A1 | PHARMACEUTICAL PREPARATION | Merck & Co., Inc. (US) | 1999-04-14 | — | — | EP | disclosed |
| WO-1998000405-A1 | PHARMACEUTICAL PREPARATION | MERCK & CO., INC. (US) | 1998-01-08 | — | — | WO | disclosed |