Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 11/20 | 0.52 |
| ▸ | NPC1 | O15118 | 10/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 10/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL21206911 | 0.87 | RAB9A (0.61) | L3MBTL1RAB9ANPC1SMN1; SMN2CYP1A2 | |
| SCHEMBL1921491 | 0.85 | GAA (0.52) | GAAL3MBTL1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL3655453 | 0.84 | SMN1; SMN2 (0.52) | GAAL3MBTL1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL1921366 | 0.84 | GAA (0.51) | GAAL3MBTL1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL22978462 | 0.83 | CYP1A2 (0.64) | GAAL3MBTL1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL20843703 | 0.81 | L3MBTL1 (0.56) | GAAL3MBTL1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL8101107 | 0.81 | SMN1; SMN2 (0.49) | GAAL3MBTL1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL31184802 | 0.80 | L3MBTL1 (0.49) | GAAL3MBTL1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL15348811 | 0.79 | GAA (0.64) | GAAL3MBTL1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL19522245 | 0.79 | RAB9A (0.61) | L3MBTL1RAB9ANPC1SMN1; SMN2CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1971605-A1 | PYRROLO [2 , 3-B] PYRIDINE DERIVATIVES AS H3 RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007068641-A1 | PYRROLO [2 , 3-B] PYRIDINE DERIVATIVES AS H3 RECEPTOR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-21 | — | — | WO | disclosed |
| EP-0900207-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997040024-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-10-30 | — | — | WO | disclosed |