Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.51 |
| ▸ | PARP1 | P09874 | 2/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 2/20 | 0.43 |
| ▸ | CHUK | O15111 | 2/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
| ▸ | WNT3A | P56704 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | PLK4 | O00444 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | ROS1 | P08922 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16881549 | 0.82 | PI4K2A (0.49) | PI4K2AARNPC1IKBKBCHUK | |
| SCHEMBL30464259 | 0.81 | PRKCI (0.50) | PI4K2AARNPC1CA12CA1 | |
| SCHEMBL7572389 | 0.81 | TGFBR1 (0.50) | PARP1ARCTNNB1WNT3ASYK | |
| SCHEMBL30627398 | 0.81 | TGFBR1 (0.50) | PARP1ARCTNNB1WNT3ASYK | |
| SCHEMBL31032063 | 0.79 | PARP1 (0.51) | PARP1PLK4MAP4K4EGFRROS1 | |
| SCHEMBL31032103 | 0.78 | NPC1 (0.57) | PARP1ARNPC1SYKPLK4 | |
| SCHEMBL6997464 | 0.78 | PI4K2A (0.55) | PI4K2AARNPC1IKBKBCHUK | |
| SCHEMBL28264516 | 0.78 | PI4K2A (0.55) | PI4K2AARNPC1IKBKBCHUK | |
| SCHEMBL16881110 | 0.77 | AR (0.46) | PI4K2AARNPC1CA12CA1 | |
| SCHEMBL10094661 | 0.76 | GRM1 (0.51) | NPC1EGFRGRM1NISCH |
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-0882040-A4 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO INC (US) | 1999-02-10 | — | — | EP | disclosed |
| EP-0882040-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | Merck & Co., Inc. (US) | 1998-12-09 | — | — | EP | disclosed |
| WO-1997021707-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO., INC. (US) | 1997-06-19 | — | — | WO | disclosed |