Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.62 |
| ▸ | RAB9A | P51151 | 4/20 | 0.62 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.56 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.56 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MLYCD | O95822 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL14195835 | 0.85 | HSP90AA1 (0.70) | NPC1RAB9AHSP90AA1HPGDHDAC2 | |
| SCHEMBL11176654 | 0.83 | NPC1 (0.90) | NPC1RAB9AHSP90AA1HPGDPKM | |
| SCHEMBL15651061 | 0.82 | HDAC6 (0.66) | NPC1RAB9AALDH1A1HPGDHDAC1 | |
| SCHEMBL8115111 | 0.81 | NPC1 (0.87) | NPC1RAB9AHSP90AA1HDAC3HDAC4 | |
| SCHEMBL29410982 | 0.81 | NPC1 (0.82) | NPC1RAB9AHSP90AA1ALDH1A1HPGD | |
| SCHEMBL29410987 | 0.81 | RAB9A (0.66) | NPC1RAB9AHSP90AA1ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL6961822 | 0.80 | NPC1 (0.64) | NPC1RAB9AHSP90AA1ALDH1A1HPGD | |
| SCHEMBL5989785 | 0.80 | PKM (0.46) | NPC1RAB9AHSP90AA1PKMPOLB | |
| SCHEMBL2654472 | 0.79 | UNG (0.56) | NPC1RAB9AHDAC3HDAC4HDAC1 | |
| SCHEMBL3225126 | 0.78 | NPC1 (1.00) | NPC1RAB9AHSP90AA1ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-111499577-A | Ortho-diphenyl substituted five-membered nitrogen-containing aromatic heterocyclic compound and application thereof | 华东师范大学 | 2020-08-07 | — | — | CN | disclosed |