Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16815223 | 0.81 | APOBEC3G (0.32) | APOBEC3GSLC6A4SLC6A2SLC6A3 | |
| SCHEMBL8244260 | 0.81 | SLC6A2 (0.39) | APOBEC3GSLC6A4SLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL7367954 | 0.79 | SLC6A2 (0.38) | APOBEC3GSLC6A4SLC6A2SLC6A3 | |
| SCHEMBL22957882 | 0.77 | SLC6A4 (0.55) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL28802335 | 0.76 | APOBEC3G (0.59) | APOBEC3GSLC6A4PDK2FFAR4SLC6A2 | |
| SCHEMBL10939540 | 0.76 | ALDH1A1 (0.36) | APOBEC3GPDK2CYP2D6HIF1A | |
| Trifluoroacetic Acid SCHEMBL4598196 | 0.75 | KDM4E (0.36) | SLC6A4FFAR4SLC6A2SLC6A3CYP1A2 | |
| SCHEMBL28019758 | 0.74 | SMN1; SMN2 (0.41) | FFAR4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL16815699 | 0.74 | SMN1; SMN2 (0.41) | FFAR4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL16815447 | 0.74 | SMN1; SMN2 (0.41) | FFAR4CYP1A2CYP2D6CYP2C19 |
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-1259506-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2002-11-27 | — | — | EP | 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 |