Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC1 | P07992 | 1/20 | 0.33 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7704988 | 0.91 | HDAC3 (0.36) | TP53ALDH1A1HTTMAPTNPSR1 | |
| SCHEMBL7704965 | 0.91 | HDAC3 (0.36) | TP53ALDH1A1HPGDHTTMAPT | |
| SCHEMBL7704902 | 0.88 | RIPK1 (0.37) | SMN1; SMN2KDM4EHDAC3HDAC1HDAC2 | |
| SCHEMBL7711458 | 0.88 | HDAC3 (0.33) | SLC6A2SLC6A4HPGDSLC6A3SMN1; SMN2 | |
| SCHEMBL7713369 | 0.86 | HDAC1 (0.34) | TP53HSD17B10HDAC3HDAC1HDAC2 | |
| SCHEMBL7711366 | 0.85 | HDAC1 (0.37) | ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC2 | |
| SCHEMBL7708189 | 0.85 | HDAC3 (0.37) | TP53ALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL7704910 | 0.84 | HDAC1 (0.45) | ALDH1A1NPSR1HSD17B10SMN1; SMN2MEN1 | |
| SCHEMBL7710867 | 0.84 | ALDH1A1 (0.38) | TP53ALDH1A1HTTMAPTNPSR1 | |
| SCHEMBL7711307 | 0.84 | ALDH1A1 (0.42) | ALDH1A1HPGDMAPTNPSR1HSD17B10 |
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 |