Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11315463 | 0.79 | NPC1 (0.33) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL5671293 | 0.78 | NPC1 (0.37) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL28567153 | 0.78 | NPC1 (0.36) | NPC1RAB9AALDH1A1LMNAHPGD | |
| Methane SCHEMBL28000918 | 0.77 | NPC1 (0.36) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL2523549 | 0.77 | HDAC1 (0.33) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL29170920 | 0.75 | NPC1 (0.42) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL5043279 | 0.74 | NPC1 (0.36) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL27489842 | 0.74 | NPC1 (0.30) | NPC1RAB9A | |
| Ether SCHEMBL16934634 | 0.74 | NPC1 (0.33) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL28695093 | 0.74 | MEN1 (0.37) | NPC1RAB9AALDH1A1LMNAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-113710656-A | Substituted bicyclic compounds as farnesoid X receptor modulators | 百时美施贵宝公司 | 2021-11-26 | — | — | CN | disclosed |
| CN-106413402-B | Hepatitis b core protein allosteric modulators | 美国印第安纳大学研究和技术公司 | 2020-10-30 | — | — | CN | disclosed |