Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.71 |
| ▸ | NPC1 | O15118 | 4/20 | 0.71 |
| ▸ | MAPT | P10636 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.66 |
| ▸ | MEN1 | O00255 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
| ▸ | ATR | Q13535 | 1/20 | 0.62 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | PRKCI | P41743 | 1/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.56 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL14082569 | 0.87 | ATR (0.65) | RAB9ANPC1MAPTALDH1A1MEN1 | |
| SCHEMBL28435041 | 0.84 | NPC1 (0.74) | RAB9ANPC1MAPTKCNK3LMNA | |
| SCHEMBL31156451 | 0.84 | NPC1 (1.00) | RAB9ANPC1MAPTPRKCI | |
| SCHEMBL4761937 | 0.84 | NPC1 (1.00) | RAB9ANPC1MAPTPRKCI | |
| SCHEMBL9400611 | 0.83 | ATR (0.57) | RAB9ANPC1MAPTALDH1A1MEN1 | |
| SCHEMBL2040710 | 0.82 | RAB9A (0.65) | RAB9ANPC1ALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9400692 | 0.82 | HTR2C (0.57) | RAB9ANPC1MAPTALDH1A1MEN1 | |
| SCHEMBL2569111 | 0.82 | NPC1 (0.76) | RAB9ANPC1ALDH1A1MEN1KMT2A | |
| SCHEMBL14880457 | 0.80 | RAB9A (1.00) | RAB9ANPC1MAPTALDH1A1MEN1 | |
| SCHEMBL3931668 | 0.79 | BRAF (0.66) | NPC1 |
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 |