Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | XBP1 | P17861 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7091085 | 0.91 | NPSR1 (0.35) | TP53IDO1GAAALDH1A1HPGD | |
| SCHEMBL7708086 | 0.87 | CTSS (0.43) | PARP1IDO1SMYD3ALDH1A1KDM4E | |
| SCHEMBL7708055 | 0.87 | PARP1 (0.41) | PARP1IDO1SMYD3KDRALDH1A1 | |
| SCHEMBL7713374 | 0.85 | PARP1 (0.50) | TP53PARP1IDO1ALDH1A1HPGD | |
| SCHEMBL7713294 | 0.84 | PARP1 (0.42) | TP53PARP1IDO1SMYD3USP2 | |
| SCHEMBL7711091 | 0.83 | PARP1 (0.42) | PARP1IDO1SMYD3ALDH1A1KMT2A | |
| SCHEMBL7713251 | 0.83 | CTSS (0.45) | TP53PARP1IDO1SMYD3ALDH1A1 | |
| SCHEMBL7708210 | 0.83 | MC4R (0.41) | TP53PARP1IDO1SMYD3KDR | |
| SCHEMBL7711137 | 0.83 | CTSL (0.45) | TP53PARP1IDO1SMYD3KDR | |
| SCHEMBL7708144 | 0.82 | PARP1 (0.42) | TP53PARP1IDO1SMYD3ALDH1A1 |
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 |