Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | XBP1 | P17861 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL17494897 | 0.78 | LMNA (0.38) | LMNAXBP1MEN1KMT2ACYP1A2 | |
| SCHEMBL7307253 | 0.76 | ALDH1A1 (0.38) | CYP3A4MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL17494888 | 0.68 | RAB9A (0.44) | LMNAXBP1MEN1KMT2AKDM4E | |
| SCHEMBL152547 | 0.65 | ADORA2B (0.45) | CYP3A4MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL9707681 | 0.65 | CYP3A4 (0.65) | CYP3A4MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL7965028 | 0.61 | ALDH1A1 (0.47) | CYP3A4CYP1A2ADORA2BL3MBTL1KDM4E | |
| SCHEMBL29507760 | 0.60 | CYP3A4 (0.62) | CYP3A4LMNAKMT2AL3MBTL1KDM4E | |
| SCHEMBL16047233 | 0.60 | CYP3A4 (0.62) | CYP3A4LMNAMEN1KMT2ACYP1A2 | |
| SCHEMBL9778174 | 0.60 | CYP3A4 (0.50) | CYP3A4MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL6695468 | 0.60 | CYP3A4 (0.62) | CYP3A4LMNAKMT2AL3MBTL1KDM4E |
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 |