Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.42 |
| ▸ | PARP3 | Q9Y6F1 | 2/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.37 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL6810792 | 0.84 | RCE1 (0.43) | PARP1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6804451 | 0.84 | PARP1 (0.60) | PARP1PARP2PARP3 | |
| SCHEMBL6806912 | 0.82 | GRM2 (0.44) | PARP1PARP2PARP3NPC1RAB9A | |
| SCHEMBL6810628 | 0.80 | PARP1 (0.52) | PARP1PARP2PARP3 | |
| SCHEMBL6807085 | 0.79 | NR3C2 (0.43) | PARP1PARP2PARP3RAB9AMEN1 | |
| SCHEMBL6807111 | 0.74 | PARP1 (0.46) | PARP1PARP2PARP3MEN1KMT2A | |
| SCHEMBL6587560 | 0.73 | PARP1 (0.42) | PARP1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6810614 | 0.73 | MAP4K4 (0.52) | PARP1PARP2PARP3MAPTNPC1 | |
| SCHEMBL6810590 | 0.72 | GRM2 (0.54) | PARP1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6807476 | 0.71 | GRM2 (0.44) | PARP1MAPTNPC1RAB9ACYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6696437-B1 | Heterocyclically substituted benzimidazoles, the production and application thereof | ABBOTT GMBH & CO. KG (DE) | 2004-02-24 | — | — | US | disclosed |