Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.59 |
| ▸ | RAB9A | P51151 | 9/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13386563 | 0.88 | NPC1 (0.57) | NPC1RAB9AHDAC3HDAC4HDAC1 | |
| SCHEMBL28102928 | 0.86 | NPC1 (0.56) | NPC1RAB9AHDAC3HDAC4HDAC1 | |
| SCHEMBL28102925 | 0.86 | NPC1 (0.56) | NPC1RAB9AHDAC3HDAC4HDAC1 | |
| SCHEMBL8387476 | 0.85 | HDAC3 (0.68) | NPC1RAB9AHDAC3HDAC4HDAC1 | |
| SCHEMBL28889040 | 0.83 | HDAC3 (0.53) | NPC1RAB9AHDAC3HDAC4HDAC1 | |
| SCHEMBL9391937 | 0.82 | NPC1 (0.51) | NPC1RAB9AHDAC3HDAC4HDAC1 | |
| SCHEMBL28163686 | 0.82 | NPC1 (0.59) | NPC1RAB9AHDAC3HDAC4HDAC1 | |
| SCHEMBL8691537 | 0.82 | NPC1 (0.59) | NPC1RAB9AHDAC3HDAC4HDAC1 | |
| SCHEMBL7416041 | 0.80 | NPC1 (0.49) | NPC1RAB9AHDAC3HDAC4HDAC1 | |
| SCHEMBL31306988 | 0.80 | NPC1 (0.46) | NPC1RAB9AHDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003013504-A1 | DIACYGLYCEROL MIMETICS AND METHODS OF USING THE SAME AS PROTEIN KINASE C ALPHA ACTIVATORS AND APOPTOSIS INDUCERS | THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES (US) | 2003-02-20 | — | — | WO | disclosed |