Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | MPO | P05164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.38 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3665773 | 0.74 | NOTUM (0.53) | NOTUMKDM4EALDH1A1MAPK1NLRP3 | |
| SCHEMBL30007604 | 0.73 | NOTUM (0.45) | NOTUMKDM4EALDH1A1MAPK1NLRP3 | |
| SCHEMBL4341894 | 0.72 | NOTUM (0.78) | NOTUMKDM4EALDH1A1MAPK1MAPT | |
| SCHEMBL6779647 | 0.71 | NOTUM (0.50) | NOTUMKDM4EALDH1A1MAPK1NLRP3 | |
| SCHEMBL7592308 | 0.71 | CYP11B1 (0.57) | NOTUMCYP2A6MAPTLMNAKMT2A | |
| SCHEMBL5934873 | 0.70 | NOTUM (0.57) | NOTUMKDM4EALDH1A1MAPK1MPO | |
| SCHEMBL255913 | 0.70 | NOTUM (0.53) | NOTUMKDM4EALDH1A1MAPK1NLRP3 | |
| Hydrochloric Acid SCHEMBL6006151 | 0.69 | NOTUM (0.55) | NOTUMKDM4EALDH1A1MAPK1MPO | |
| SCHEMBL30437851 | 0.69 | CHRNA7 (0.49) | NOTUMKDM4EALDH1A1MAPK1NLRP3 | |
| SCHEMBL17846268 | 0.69 | NOTUM (0.44) | NOTUMKDM4EALDH1A1MAPK1NLRP3 |
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 |