Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | RHOA | P61586 | 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 | |
|---|---|---|---|---|
| SCHEMBL10587973 | 0.83 | TSHR (0.40) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL3135166 | 0.82 | PKM (0.41) | TSHRCYP3A4ALDH1A1HSD17B10KDM4E | |
| SCHEMBL1564215 | 0.79 | TSHR (0.40) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL7866089 | 0.79 | TSHR (0.42) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL7094910 | 0.79 | CYP3A4 (0.41) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL194466 | 0.79 | TSHR (0.42) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL8678916 | 0.78 | TSHR (0.39) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL8165023 | 0.78 | TSHR (0.39) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL3407885 | 0.77 | TSHR (0.36) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL8517677 | 0.77 | TSHR (0.41) | TSHRCYP3A4TDP1MAPTCACNA1B |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0673945-B1 | Preparation of an ester salt of wittig | HOFFMANN LA ROCHE (CH) | 2000-09-06 | — | — | EP | claimed |
| JP-7285978-A | — | — | None | — | — | JP | disclosed |
| CN-1124257-C | 2-chloro-2-methyl-3-crotonization and 2-chloro-2-methyl-3-alkyl butenate | HOFFMANN LA ROCHE (CH) | 2003-10-15 | — | — | CN | disclosed |
| CN-1269356-A | 2-chloro-2-methyl-3-crotonization and 2-chloro-2-methyl-3-alkyl butenate | HOFFMANN LA ROCHE (CH) | 2000-10-11 | — | — | CN | disclosed |
| US-5777149-A | Method for the production of (3-alkoxycarbonyl-2-butenyl) triphenylphosphonium salts | ROCHE VITAMINS INC. (US) | 1998-07-07 | — | — | US | disclosed |
| US-5681977-A | Method for the production of (3-alkoxycarbonyl-2-butenyl) triphenylphosphonium salts | ROCHE VITAMINS INC. (US) | 1997-10-28 | — | — | US | disclosed |
| US-5631398-A | Method for the production of (3-alkoxycarbonyl-2-butenyl) triphenylphosphonium salts | ROCHE VITAMINS INC. (US) | 1997-05-20 | — | — | US | disclosed |
| US-5502236-A | Method for the production of (3-alkoxycarbonyl-2-butenyl)triphenylphosphonium salts | HOFFMANN-LA ROCHE INC. (US) | 1996-03-26 | — | — | US | disclosed |
| JP-H07285978-A | PREPARATION OF WITTIG ESTER | F HOFFMANN LA ROCHE AG | 1995-10-31 | — | — | JP | disclosed |
| EP-0673945-A1 | Preparation of an ester salt of wittig | F. HOFFMANN-LA ROCHE AG (CH) | 1995-09-27 | — | — | EP | disclosed |