Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 12/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 12/20 | 0.43 |
| ▸ | WNT1 | P04628 | 3/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
| ▸ | CLK2 | P49760 | 1/20 | 0.41 |
| ▸ | CLK3 | P49761 | 1/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22874232 | 0.83 | IDO1 (0.59) | IDO1GSK3BDYRK1AWNT1HPGDS | |
| SCHEMBL7988012 | 0.77 | CYP2A6 (0.45) | CYP2A6 | |
| SCHEMBL4515256 | 0.77 | IDO1 (0.57) | IDO1GSK3BDYRK1AWNT1HPGDS | |
| SCHEMBL7533347 | 0.76 | QPCT (0.39) | IDO1GSK3BDYRK1AWNT1LRRK2 | |
| SCHEMBL18029231 | 0.75 | HTR6 (0.60) | CYP2A6 | |
| SCHEMBL7524692 | 0.74 | PIK3CD (0.47) | CYP2A6 | |
| SCHEMBL17559204 | 0.72 | FGFR1 (0.51) | IDO1GSK3BDYRK1AMMP2MMP13 | |
| SCHEMBL21241353 | 0.72 | CYP2A6 (0.41) | LRRK2CYP2A6 | |
| SCHEMBL17384770 | 0.71 | LRRK2 (0.55) | GSK3BDYRK1AWNT1LRRK2 | |
| SCHEMBL20916196 | 0.71 | GSK3B (0.55) | GSK3BDYRK1AWNT1CLK2CLK3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1193027-C | Substituted pyrroles | HOFFMANN LA ROCHE (CH) | 2005-03-16 | — | — | CN | disclosed |
| CN-1411457-A | Substituted pyrroles | HOFFMANN LA ROCHE (CH) | 2003-04-16 | — | — | CN | disclosed |
| EP-1242409-A2 | SUBSTITUTED BISINDOLYLMALEIMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-09-25 | — | — | EP | disclosed |
| US-6281356-B1 | ANTICANRCER AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-28 | — | — | US | disclosed |
| WO-2001046178-A2 | SUBSTITUIERTE BISINDOLYMALEIMIDE | F. HOFFMANN-LA ROCHE AG (CH) | 2001-06-28 | — | — | WO | disclosed |