Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.54 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.47 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20308844 | 0.86 | NPSR1 (0.41) | PIN1SCN2ANPY5RNPSR1RAB9A | |
| SCHEMBL4808364 | 0.84 | PIN1 (0.48) | PIN1SCN2ANPY5RNPSR1RAB9A | |
| SCHEMBL2293472 | 0.78 | SCN2A (0.55) | PIN1SCN2ANPY5RNPSR1RAB9A | |
| SCHEMBL18782927 | 0.74 | KDM4E (0.50) | NPSR1RAB9AMEN1NPC1POLB | |
| SCHEMBL12127239 | 0.73 | NPC1 (0.46) | PIN1RAB9AMEN1NPC1POLB | |
| SCHEMBL12127245 | 0.73 | NPC1 (0.46) | PIN1RAB9AMEN1NPC1POLB | |
| SCHEMBL889049 | 0.73 | KDM4E (0.49) | NPSR1RAB9AMEN1NPC1MAPT | |
| SCHEMBL3057838 | 0.70 | PIN1 (1.00) | PIN1SCN2ANPY5RRECQLHPGDS | |
| SCHEMBL5199832 | 0.69 | KDM4E (0.45) | NPSR1RAB9AMEN1NPC1POLB | |
| SCHEMBL5199838 | 0.69 | KDM4E (0.45) | NPSR1RAB9AMEN1NPC1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0734398-A4 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 1997-04-16 | — | — | EP | disclosed |
| EP-0734398-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 1996-10-02 | — | — | EP | disclosed |
| WO-1995016712-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-06-22 | — | — | WO | disclosed |