Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.56 |
| ▸ | NOS1 | P29475 | 3/20 | 0.56 |
| ▸ | NOS2 | P35228 | 3/20 | 0.56 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 3/20 | 0.34 |
| ▸ | NNMT | P40261 | 1/20 | 0.34 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3351392 | 0.79 | CYP2A6 (0.42) | NOS3NOS1NOS2CYP2A6UHRF1 | |
| Hydrochloric Acid SCHEMBL28477299 | 0.77 | CYP2A6 (0.41) | NOS3NOS1NOS2CYP2A6KDM4E | |
| SCHEMBL21712533 | 0.77 | NOS3 (0.34) | NOS3NOS1NOS2MAP4K4KMT2A | |
| SCHEMBL25786654 | 0.75 | PIK3CA (0.47) | NOS3NOS1NOS2KDM4EALDH1A1 | |
| SCHEMBL21608241 | 0.74 | IKBKB (0.33) | UHRF1KDM4EALDH1A1NNMT | |
| SCHEMBL14007418 | 0.74 | KDM4E (0.33) | KDM4EALDH1A1NNMT | |
| SCHEMBL3937354 | 0.74 | CHRNB2 (0.35) | KDM4EALDH1A1 | |
| SCHEMBL21139550 | 0.74 | NOS3 (0.32) | NOS3NOS1NOS2KDM4EALDH1A1 | |
| SCHEMBL19957732 | 0.74 | DHFR (0.33) | NOS3NOS1NOS2KDM4EALDH1A1 | |
| SCHEMBL24364150 | 0.72 | PRMT5 (0.50) | NOS3NOS1NOS2KDM4EALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0835109-A4 | PYRIDINONE-THROMBIN INHIBITORS | MERCK & CO INC (US) | 1999-02-03 | — | — | EP | disclosed |
| US-5744486-A | Pyridinone thrombin inhibitors | MERCK & CO., INC. (US) | 1998-04-28 | — | — | US | disclosed |
| EP-0835109-A1 | PYRIDINONE-THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1998-04-15 | — | — | EP | disclosed |
| US-5668289-A | Pyridinone thrombin inhibitors | MERCK & CO., INC. (US) | 1997-09-16 | — | — | US | disclosed |
| WO-1997001338-A1 | PYRIDINONE-THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-01-16 | — | — | WO | disclosed |