Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | THRA | P10827 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 3/20 | 0.48 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.47 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3193186 | 0.87 | MAPK14 (0.61) | NPC1HSP90AA1HDAC11HDAC8HDAC6 | |
| SCHEMBL2156618 | 0.87 | HTR2C (0.56) | NPC1HSP90AA1HDAC11HDAC8HDAC6 | |
| SCHEMBL2156900 | 0.81 | PLA2G2A (0.56) | NPC1HSP90AA1HDAC11HDAC8HDAC6 | |
| SCHEMBL6086123 | 0.81 | MAPK14 (0.54) | NPC1HSP90AA1MAPK14 | |
| SCHEMBL9194734 | 0.80 | ROCK1 (0.54) | NPC1HSP90AA1HDAC11HDAC8HDAC6 | |
| SCHEMBL5894002 | 0.80 | MAPK14 (0.53) | NPC1HSP90AA1HDAC8HDAC6HDAC3 | |
| SCHEMBL16783105 | 0.79 | APP (0.52) | NPC1HSP90AA1HDAC11HDAC8HDAC6 | |
| SCHEMBL24855125 | 0.79 | NPC1 (0.50) | NPC1HSP90AA1HDAC11HDAC8HDAC6 | |
| SCHEMBL30844613 | 0.79 | NPC1 (0.50) | NPC1HSP90AA1HDAC11HDAC8HDAC6 | |
| SCHEMBL6100496 | 0.79 | ALOX5 (0.61) | NPC1THRATHRBMAPK14 |
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-1992007829-A1 | INDOLE-3-METHANAMINES USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS | THE UPJOHN COMPANY (US) | 1992-05-14 | — | — | WO | disclosed |