Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GFER | P55789 | 2/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MASP2 | O00187 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7309890 | 0.76 | CYP3A4 (0.38) | ALDH1A1MEN1KMT2ACYP3A4CYP1A2 | |
| SCHEMBL26948700 | 0.70 | ADORA2B (0.42) | ALDH1A1GFERAPOBEC3GPOLBMEN1 | |
| SCHEMBL7274698 | 0.67 | RECQL (0.51) | ALDH1A1GFERAPOBEC3GPOLBMEN1 | |
| SCHEMBL9838652 | 0.65 | SHMT2 (0.39) | ALDH1A1GFERAPOBEC3GPOLBMEN1 | |
| SCHEMBL7474776 | 0.65 | ALDH1A1 (0.46) | ALDH1A1GFERAPOBEC3GPOLBMEN1 | |
| SCHEMBL3058325 | 0.63 | SIRT6 (0.42) | ALDH1A1POLBMEN1KMT2AMAPT | |
| SCHEMBL10992140 | 0.62 | CFTR (0.37) | ALDH1A1GFERAPOBEC3GPOLBMEN1 | |
| SCHEMBL7081575 | 0.62 | SIRT6 (0.44) | ALDH1A1POLBMEN1KMT2ACYP3A4 | |
| SCHEMBL9837540 | 0.61 | SHMT2 (0.42) | ALDH1A1GFERAPOBEC3GPOLBMEN1 | |
| SCHEMBL11283677 | 0.59 | LMNA (0.44) | ALDH1A1MEN1KMT2ACYP3A4CYP1A2 |
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 |