Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.33 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL7710867 | 0.87 | ALDH1A1 (0.38) | ALDH1A1HTTPOLBHDAC3HDAC1 | |
| SCHEMBL7704988 | 0.87 | HDAC3 (0.36) | ALDH1A1HTTPOLBHDAC3HDAC1 | |
| SCHEMBL7704902 | 0.86 | RIPK1 (0.37) | HDAC3HDAC1HDAC2NCOR2SMN1; SMN2 | |
| SCHEMBL7711248 | 0.86 | RIPK1 (0.37) | ALDH1A1NPC1HDAC3HDAC1HDAC2 | |
| SCHEMBL7711458 | 0.86 | HDAC3 (0.33) | HDAC3HDAC1HDAC2NCOR2SMN1; SMN2 | |
| SCHEMBL7708353 | 0.85 | GRM2 (0.37) | ALDH1A1HTTHDAC3HDAC1HDAC2 | |
| SCHEMBL7704965 | 0.85 | HDAC3 (0.36) | ALDH1A1HTTPOLBGAAHDAC3 | |
| SCHEMBL7704910 | 0.84 | HDAC1 (0.45) | ALDH1A1HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL7708189 | 0.83 | HDAC3 (0.37) | ALDH1A1POLBGAAHDAC3HDAC1 | |
| SCHEMBL7711366 | 0.83 | HDAC1 (0.37) | ALDH1A1HDAC3HDAC1HDAC2NCOR2 |
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 |