Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28083402 | 0.85 | KMO (0.37) | CYP1A2CYP2C9CYP2C19MAPK14TDP1 | |
| SCHEMBL434626 | 0.85 | KCNN4 (0.36) | CYP2A6KCNN4NPC1PTPRCKMT2A | |
| SCHEMBL9591876 | 0.85 | CYP2A6 (0.39) | CYP2A6DPP4KCNN4NPC1RAB9A | |
| SCHEMBL1810776 | 0.84 | CYP2A6 (0.44) | CYP2A6DPP4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL434024 | 0.84 | KDM4E (0.34) | NPC1RAB9ASMN1; SMN2HPGDPTPRC | |
| SCHEMBL2886283 | 0.81 | — | — | |
| SCHEMBL4420759 | 0.79 | CYP2A6 (0.44) | CYP2A6DPP4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27764470 | 0.79 | DPP4 (0.39) | DPP4HPGDALDH1A1MAPK14 | |
| SCHEMBL436978 | 0.78 | AHR (0.40) | DPP4NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL17514770 | 0.78 | NISCH (0.38) | NPC1RAB9ASMN1; SMN2TP53LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1133475-A1 | SUBSTITUTED BENZO DE]ISOQUINOLINE-1,3-DIONES | MERCK PATENT GmbH (DE) | 2001-09-19 | — | — | EP | disclosed |
| WO-2000031039-A1 | SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES | MERCK PATENT GMBH (DE) | 2000-06-02 | — | — | WO | disclosed |