Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 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 | |
|---|---|---|---|---|
| SCHEMBL4722697 | 0.91 | CYP3A4 (0.35) | NPSR1CYP3A4CYP2C9TP53MAPT | |
| SCHEMBL4721885 | 0.90 | P2RX7 (0.38) | NPSR1CYP3A4CYP2C9ALDH1A1P2RX7 | |
| SCHEMBL4721890 | 0.90 | P2RX7 (0.38) | NPSR1CYP3A4CYP2C9ALDH1A1P2RX7 | |
| SCHEMBL4724288 | 0.86 | F10 (0.40) | NPSR1CYP3A4CYP2C9MAPT | |
| SCHEMBL4724015 | 0.82 | MAPT (0.34) | NPSR1CYP3A4CYP2C9TP53MAPT | |
| SCHEMBL4719683 | 0.81 | SMN1; SMN2 (0.34) | CYP2C9TP53MAPTMAPK1ALDH1A1 | |
| SCHEMBL4720196 | 0.80 | TDP1 (0.38) | CYP3A4CYP2C9MAPTMAPK1HTT | |
| SCHEMBL4719795 | 0.80 | F10 (0.37) | MAPTMAPK1P2RX7LMNA | |
| SCHEMBL4719800 | 0.80 | F10 (0.37) | MAPTMAPK1P2RX7LMNA | |
| SCHEMBL4718895 | 0.79 | CYP3A4 (0.32) | NPSR1CYP3A4CYP2C9 |
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 |