Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | AR | P10275 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CLK1 | P49759 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7672598 | 0.87 | NPC1 (0.47) | NOS2NPC1RAB9AMAOBHSD17B10 | |
| SCHEMBL7320659 | 0.87 | PGR (0.56) | NOS2NPC1RAB9AMAOBHSD17B10 | |
| SCHEMBL13652097 | 0.84 | NOS2 (0.51) | NOS2NPC1RAB9AMAOBHSD17B10 | |
| SCHEMBL16958190 | 0.83 | GLA (0.47) | NPC1RAB9AMAOBHSD17B10TP53 | |
| SCHEMBL3045111 | 0.82 | NOS2 (0.50) | NOS2NPC1RAB9AMAOBHSD17B10 | |
| SCHEMBL8176765 | 0.82 | NOS2 (0.50) | NOS2NPC1RAB9AMAOBHSD17B10 | |
| SCHEMBL7663985 | 0.82 | NOS2 (0.50) | NOS2NPC1RAB9AMAOBHSD17B10 | |
| SCHEMBL3054041 | 0.82 | NOS2 (0.50) | NOS2NPC1RAB9AMAOBHSD17B10 | |
| SCHEMBL7366242 | 0.82 | NOS2 (0.53) | NOS2NPC1RAB9AMAOBHSD17B10 | |
| SCHEMBL16313416 | 0.81 | NOS2 (0.49) | NOS2NPC1RAB9AMAOBHSD17B10 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |
| EP-1259506-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2002-11-27 | — | — | EP | disclosed |
| US-6476021-B1 | Compounds having cGMP-PDE inhibitory effect | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2002-11-05 | — | — | US | disclosed |
| US-6387911-B1 | Pyrazinone thrombin inhibitors | MERCK & CO., INC. | 2002-05-14 | — | — | US | disclosed |
| WO-2001038323-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2001-05-31 | — | — | WO | disclosed |
| EP-1048666-A1 | NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2000-11-02 | — | — | EP | disclosed |