Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.32 |
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL4612123 | 0.84 | ACHE (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL4610161 | 0.78 | CES1 (0.39) | CYP3A4CYP2C19ALDH1A1HPGDACHE | |
| SCHEMBL8734781 | 0.73 | MAPT (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL4610969 | 0.70 | L3MBTL1 (0.40) | CYP3A4CYP2C19ALDH1A1HPGDKMT2A | |
| SCHEMBL4612197 | 0.70 | ALDH1A1 (0.37) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL4609957 | 0.67 | CES1 (0.42) | CYP3A4CYP2C19ALDH1A1HPGDKMT2A | |
| SCHEMBL4611412 | 0.67 | CES1 (0.38) | CYP3A4CYP2C19ALDH1A1HPGDKMT2A | |
| SCHEMBL4611415 | 0.67 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| Acetophenone SCHEMBL28040708 | 0.66 | SMN1; SMN2 (0.52) | ALDH1A1HPGDACHEKMT2ASMN1; SMN2 | |
| SCHEMBL4612216 | 0.66 | LMNA (0.40) | CYP1A2CYP2C9CYP2C19ALDH1A1HPGD |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1419182-B1 | IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE | BRIDGESTONE CORP (JP) | 2008-10-15 | — | — | EP | disclosed |
| EP-1419182-A1 | IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE | Bridgestone Corporation (JP) | 2004-05-19 | — | — | EP | disclosed |
| US-6610804-B2 | An iron compound, an alpha-acylphosphonate diester, and an organoaluminum compound | BRIDGESTONE CORPORATION (JP) | 2003-08-26 | — | — | US | disclosed |
| US-6576725-B1 | Iron compound, organomagnesium compound, and alpha-acylphosphonate diester; addition polymerization | BRIDGESTONE CORPORATION (JP) | 2003-06-10 | — | — | US | disclosed |
| US-20030073570-A1 | Method of preparing oligomers of conjugated dienes with an iron-based catalyst composition | BRIDGESTONE CORP. | 2003-04-17 | — | — | US | disclosed |
| US-20030073790-A1 | Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene | BRIDGESTONE CORP. | 2003-04-17 | — | — | US | disclosed |
| WO-2003018644-A1 | IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE | BRIDGESTONE CORPORATION (JP) | 2003-03-06 | — | — | WO | disclosed |