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 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 7/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 5/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | POLB | P06746 | 3/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.31 |
| ▸ | TUBB | P07437 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23154925 | 0.96 | NPC1 (0.32) | NPC1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL23154992 | 0.93 | NPC1 (0.34) | NPC1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL23155004 | 0.90 | TSHR (0.39) | CYP1A2CYP2C9CYP2C19TSHRMEN1 | |
| SCHEMBL23154960 | 0.89 | TSHR (0.35) | CYP1A2CYP2C9CYP2C19TSHRMEN1 | |
| SCHEMBL23155009 | 0.89 | ALDH1A1 (0.33) | MEN1KMT2AMAPTALDH1A1TUBB4A | |
| SCHEMBL23154985 | 0.87 | PRKDC (0.31) | — | |
| SCHEMBL23154949 | 0.87 | NPC1 (0.32) | NPC1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL23154933 | 0.85 | ALDH1A1 (0.31) | MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL23154978 | 0.85 | NPC1 (0.36) | NPC1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL21863100 | 0.84 | NPC1 (0.33) | NPC1CYP1A2CYP2C9CYP2C19RAB9A |
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 |