Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL7704992 | 0.91 | ALDH1A1 (0.35) | SMN1; SMN2TP53MC4RALDH1A1HPGD | |
| SCHEMBL7704969 | 0.89 | ALDH1A1 (0.36) | SMN1; SMN2TP53ALDH1A1HPGDHTT | |
| SCHEMBL7704904 | 0.87 | CTSL (0.45) | SMN1; SMN2TP53ALDH1A1HPGDKDM4E | |
| SCHEMBL7711460 | 0.86 | ALDH1A1 (0.34) | SMN1; SMN2TP53ALDH1A1HPGDKDM4E | |
| SCHEMBL7710869 | 0.84 | CTSS (0.42) | TP53ALDH1A1HPGDKDM4EHTT | |
| SCHEMBL7704912 | 0.84 | ALDH1A1 (0.45) | SMN1; SMN2TP53ALDH1A1HPGDHTT | |
| SCHEMBL7711369 | 0.84 | ALDH1A1 (0.37) | SMN1; SMN2TP53ALDH1A1HPGDKDM4E | |
| SCHEMBL7713371 | 0.83 | NPSR1 (0.37) | SMN1; SMN2TP53ALDH1A1HPGDKDM4E | |
| SCHEMBL7713363 | 0.83 | HPGD (0.41) | SMN1; SMN2TP53ALDH1A1HPGDKDM4E | |
| SCHEMBL7708193 | 0.83 | ALDH1A1 (0.38) | SMN1; SMN2TP53ALDH1A1HPGDKDM4E |
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 |