Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.87 |
| ▸ | RAB9A | P51151 | 3/20 | 0.87 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.77 |
| ▸ | MLYCD | O95822 | 2/20 | 0.71 |
| ▸ | NAAA | Q02083 | 1/20 | 0.68 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.68 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.68 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.68 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.68 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.68 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.68 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.68 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.68 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.68 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.68 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.68 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.66 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | PKM | P14618 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL11176654 | 0.98 | NPC1 (0.90) | NPC1RAB9AHSP90AA1MLYCDNAAA | |
| SCHEMBL3225126 | 0.93 | NPC1 (1.00) | NPC1RAB9AHSP90AA1MLYCDHDAC2 | |
| SCHEMBL27691100 | 0.91 | NPC1 (0.72) | NPC1RAB9AHSP90AA1MLYCDNAAA | |
| SCHEMBL9492235 | 0.89 | HDAC1 (0.82) | NPC1RAB9AHSP90AA1NAAAHDAC3 | |
| SCHEMBL20734829 | 0.89 | HDAC1 (0.82) | NPC1RAB9AHSP90AA1NAAAHDAC3 | |
| SCHEMBL9489804 | 0.89 | HDAC1 (0.82) | NPC1RAB9AHSP90AA1NAAAHDAC3 | |
| SCHEMBL9452844 | 0.89 | HDAC1 (0.82) | NPC1RAB9AHSP90AA1NAAAHDAC3 | |
| SCHEMBL9489756 | 0.89 | HDAC1 (0.82) | NPC1RAB9AHSP90AA1NAAAHDAC3 | |
| SCHEMBL7460068 | 0.89 | HDAC1 (0.82) | NPC1RAB9AHSP90AA1NAAAHDAC3 | |
| SCHEMBL9188890 | 0.89 | HDAC1 (0.82) | NPC1RAB9AHSP90AA1NAAAHDAC3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1049691-A1 | SUBSTITUTED 5-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL) CYCLOPENTENOPYRIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2000-11-08 | — | — | EP | disclosed |
| WO-1999037639-A1 | SUBSTITUTED 5-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL) CYCLOPENTENOPYRIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-07-29 | — | — | WO | disclosed |