Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.32 |
| ▸ | TUBB | P07437 | 1/20 | 0.32 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.32 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.32 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.32 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.32 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.32 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.32 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.32 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.32 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.32 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.32 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.32 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23154949 | 0.94 | NPC1 (0.32) | NPC1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL23155010 | 0.93 | NPC1 (0.34) | NPC1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL23154976 | 0.90 | TSHR (0.39) | CYP1A2CYP2C9CYP2C19TSHRMAPT | |
| SCHEMBL23154925 | 0.89 | NPC1 (0.32) | NPC1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL23154978 | 0.87 | NPC1 (0.36) | NPC1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL21863100 | 0.86 | NPC1 (0.33) | NPC1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL23155001 | 0.86 | NPC1 (0.34) | NPC1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL23154991 | 0.85 | ALDH1A1 (0.34) | CYP1A2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL23154951 | 0.84 | NPC1 (0.34) | NPC1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL23154990 | 0.84 | TUBB4A (0.31) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A |
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-2021060865-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 엘티소재주식회사 | 2021-04-01 | — | — | WO | disclosed |