Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | 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 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL7704809 | 0.91 | PARP1 (0.41) | ALDH1A1HTTPOLBABL1RIN1 | |
| SCHEMBL7704942 | 0.87 | ALDH1A1 (0.37) | ALDH1A1HTTPOLBLMNAMAPT | |
| SCHEMBL7711006 | 0.87 | PARP1 (0.36) | ALDH1A1HTTPOLBLMNAMAPT | |
| SCHEMBL6302929 | 0.86 | PARP1 (0.35) | ALDH1A1HSD17B10TSHRKMT2APARP1 | |
| SCHEMBL7712797 | 0.86 | RIPK1 (0.36) | ALDH1A1LMNAMAPTHSD17B10TSHR | |
| SCHEMBL7708255 | 0.86 | RIPK1 (0.36) | HSD17B10TSHRPARP1SMN1; SMN2 | |
| SCHEMBL6428132 | 0.85 | RIPK1 (0.36) | HSD17B10TSHRPARP1SMN1; SMN2 | |
| SCHEMBL7704932 | 0.85 | HDAC3 (0.35) | MAPTHSD17B10PARP1 | |
| SCHEMBL6309617 | 0.84 | HDAC1 (0.43) | ALDH1A1HTTMAPK1NPSR1HSD17B10 | |
| SCHEMBL7704945 | 0.84 | HDAC3 (0.44) | ALDH1A1HTTMAPK1NPSR1HSD17B10 |
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 |