Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6945456 | 0.79 | CYP2A6 (0.46) | CYP2A6TP53FAAHCA2CHRNA7 | |
| SCHEMBL4186791 | 0.78 | CYP3A4 (0.59) | CYP3A4ALDH1A1KDM4ETP53HSD17B10 | |
| SCHEMBL29376585 | 0.77 | BIRC5 (0.44) | CYP3A4ALDH1A1KDM4ETP53HPGD | |
| SCHEMBL16729148 | 0.77 | BIRC5 (0.44) | CYP3A4ALDH1A1KDM4ETP53HPGD | |
| SCHEMBL14945680 | 0.77 | CYP2A6 (0.53) | CYP2A6FAAHCHRNA7MAPTL3MBTL1 | |
| SCHEMBL17316721 | 0.76 | KDM4E (0.54) | ALDH1A1CYP2A6KDM4EHPGDHSD17B10 | |
| SCHEMBL13114464 | 0.76 | HPGD (0.55) | ALDH1A1CYP2A6KDM4EHPGDFAAH | |
| SCHEMBL28341759 | 0.75 | MTNR1A (0.43) | CYP2A6HPGDFAAHCHRNA7MAPT | |
| SCHEMBL11320167 | 0.75 | CYP3A4 (0.56) | CYP3A4ALDH1A1KDM4ETP53HSD17B10 | |
| SCHEMBL6583538 | 0.75 | CYP2A6 (0.49) | CYP2A6HSD17B10FAAHCA2CHRNA7 |
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-0915872-B1 | SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION | HOFFMANN LA ROCHE (CH) | 2003-05-14 | — | — | EP | disclosed |
| US-6030994-A | ANTIPROLIFERATIVE, TUMOR AND CARCINOGENIC AGENTS; PARTICULARLY FOR TREATMENT OF SOLID TUMORS AND THOSE OF THE BREAST AND COLON | HOFFMANN-LA ROCHE INC. (US) | 2000-02-29 | — | — | US | disclosed |
| EP-0915872-A1 | SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION | F. HOFFMANN-LA ROCHE AG (CH) | 1999-05-19 | — | — | EP | disclosed |
| US-5856517-A | ANTIPROLIFERATIVE AGENTS USEFUL IN THE TREATMENT OF CANCER. | HOFFMANN-LA ROCHE INC. (US) | 1999-01-05 | — | — | US | disclosed |
| WO-1998004552-A1 | SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION | F. HOFFMANN-LA ROCHE AG (CH) | 1998-02-05 | — | — | WO | disclosed |