Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11342206 | 0.89 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19HTR2BTLR8 | |
| SCHEMBL10430488 | 0.87 | MEN1 (0.50) | CYP1A2CYP2C9CYP2C19HTR2BTLR8 | |
| SCHEMBL4461566 | 0.87 | MEN1 (0.50) | CYP1A2CYP2C9CYP2C19HTR2BTLR8 | |
| SCHEMBL5929953 | 0.87 | MEN1 (0.50) | CYP1A2CYP2C9CYP2C19HTR2BTLR8 | |
| SCHEMBL3469016 | 0.87 | MEN1 (0.50) | CYP1A2CYP2C9CYP2C19HTR2BTLR8 | |
| SCHEMBL544603 | 0.84 | ALDH1A1 (0.50) | CYP1A2CYP2C19MEN1KMT2AMAPT | |
| SCHEMBL31546843 | 0.84 | ALDH1A1 (0.50) | CYP1A2CYP2C19MEN1KMT2AMAPT | |
| SCHEMBL910513 | 0.81 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL973234 | 0.81 | ALDH1A1 (0.54) | CYP1A2CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL2931678 | 0.81 | PTGDR2 (0.38) | RAB9AMEN1KMT2AMAPTL3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0672742-B1 | A hexenediyne derivative and a liquid crystal composition | CHISSO CORP (JP) | 1999-02-10 | — | — | EP | disclosed |
| US-5554316-A | Hexenediyne derivative and a liquid crystal composition | CHISSO CORPORATION (JP) | 1996-09-10 | — | — | US | disclosed |
| EP-0672742-A1 | A hexenediyne derivative and a liquid crystal composition | CHISSO CORPORATION (JP) | 1995-09-20 | — | — | EP | disclosed |