Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CCKAR | P32238 | 1/20 | 0.35 |
| ▸ | CCKBR | P32239 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.35 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7095517 | 0.91 | SIRT2 (0.38) | SIRT2NR3C2MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL7711091 | 0.89 | PARP1 (0.42) | PARP1SMN1; SMN2CCKARCCKBRIDO1 | |
| SCHEMBL7713374 | 0.87 | PARP1 (0.50) | PARP1MAPTRAB9ASMN1; SMN2CCKAR | |
| SCHEMBL7713251 | 0.87 | CTSS (0.45) | PARP1SMN1; SMN2CCKARCCKBRIDO1 | |
| SCHEMBL7711137 | 0.87 | CTSL (0.45) | PARP1SMN1; SMN2CCKARCCKBRIDO1 | |
| SCHEMBL7708231 | 0.86 | CA2 (0.39) | PARP1ITGA4ITGB7 | |
| SCHEMBL7708220 | 0.85 | PARP1 (0.41) | PARP1CCKARCCKBRIDO1HTT | |
| SCHEMBL7711371 | 0.83 | PARP1 (0.41) | PARP1MAPTRAB9ASMN1; SMN2CCKAR | |
| SCHEMBL7713294 | 0.83 | PARP1 (0.42) | PARP1SMN1; SMN2CCKARCCKBRIDO1 | |
| SCHEMBL7713423 | 0.83 | PARP1 (0.41) | PARP1SMN1; SMN2CCKARCCKBRIDO1 |
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-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |