Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.30 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14101746 | 0.91 | NPSR1 (0.39) | CYP3A4CYP2C9NPSR1ALDH1A1TP53 | |
| SCHEMBL4719683 | 0.91 | SMN1; SMN2 (0.34) | CYP2C9ALDH1A1TP53MAPTLMNA | |
| SCHEMBL4721890 | 0.90 | P2RX7 (0.38) | CYP3A4CYP2C9NPSR1ALDH1A1 | |
| SCHEMBL4721885 | 0.90 | P2RX7 (0.38) | CYP3A4CYP2C9NPSR1ALDH1A1 | |
| SCHEMBL4718895 | 0.89 | CYP3A4 (0.32) | CYP3A4CYP2C9NPSR1 | |
| SCHEMBL4723157 | 0.87 | F10 (0.32) | MAPT | |
| SCHEMBL4720845 | 0.85 | PDE4A (0.36) | — | |
| SCHEMBL4720017 | 0.84 | CXCR3 (0.31) | — | |
| SCHEMBL4766343 | 0.84 | F10 (0.31) | CYP3A4CYP2C9NPSR1 | |
| SCHEMBL4719462 | 0.82 | CXCR3 (0.35) | CYP2C9ALDH1A1TP53MAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |