Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.31 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL6189088 | 0.83 | PTGDR2 (0.36) | LOXL2 | |
| SCHEMBL6502262 | 0.81 | ACP3 (0.35) | — | |
| SCHEMBL4312752 | 0.80 | BRAF (0.34) | LOXL2 | |
| SCHEMBL7124623 | 0.74 | PTGDR2 (0.38) | LOXL2 | |
| SCHEMBL17814887 | 0.74 | IDO1 (0.49) | ALDH1A1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL17802349 | 0.74 | IDO1 (0.49) | ALDH1A1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL1515724 | 0.74 | IDO1 (0.49) | ALDH1A1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL4832918 | 0.73 | RIOK2 (0.44) | LMNA | |
| SCHEMBL7502772 | 0.72 | PNMT (0.42) | KMOALDH1A1 | |
| SCHEMBL5722046 | 0.72 | ADRA2A (0.36) | KMOALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1414443-A4 | BENZIMIDAZO 4,5-f]ISOQUINOLINONE DERIVATIVES | MERCK & CO INC (US) | 2005-05-11 | — | — | EP | disclosed |
| EP-1414443-A1 | BENZIMIDAZO 4,5-f]ISOQUINOLINONE DERIVATIVES | Merck & Co., Inc. (US) | 2004-05-06 | — | — | EP | disclosed |
| WO-2003011285-A1 | BENZIMIDAZO[4,5-f]ISOQUINOLINONE DERIVATIVES | MERCK & CO., INC. (US) | 2003-02-13 | — | — | WO | disclosed |