Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL2772463 | 0.80 | LMNA (0.34) | LMNACYP2C19 | |
| SCHEMBL11321001 | 0.75 | ALDH1A1 (0.51) | ALDH1A1TDP1LMNAMGAMGAA | |
| SCHEMBL6885827 | 0.73 | ALDH1A1 (0.50) | ALDH1A1TDP1FDPS | |
| SCHEMBL12315918 | 0.70 | TRPM8 (0.41) | ALDH1A1LMNACYP2C19FDPS | |
| SCHEMBL11348244 | 0.70 | GABBR2 (0.37) | ALDH1A1TDP1LMNACYP2C19FDPS | |
| SCHEMBL2983914 | 0.69 | LMNA (0.39) | ALDH1A1LMNACYP2C19TSHR | |
| SCHEMBL8353174 | 0.68 | TDP1 (0.39) | ALDH1A1TDP1CYP2C19GAACYP3A4 | |
| Methyl Isobutyl Ketone SCHEMBL28232965 | 0.67 | ALDH1A1 (0.82) | ALDH1A1TDP1CYP2C19MGAMGAA | |
| SCHEMBL31217469 | 0.67 | ALOX15 (0.43) | ALDH1A1FDPSALOX15TSHR | |
| Methyl Isobutyl Ketone SCHEMBL11316688 | 0.67 | ALDH1A1 (0.70) | ALDH1A1TDP1MGAMGAASI |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5861107-A | ESTER INTERCHANGE OF 1,3-PROPANEDIOL COMPOUNDS WITH CARBONIC ACID ESTERS; DISTILLATIVE DEPOLYMERIZATION; CATALYSIS WITH TITANIUM OR ZIRCONIUM COMPOUND; PHOSPHORUS OR SULFUR COMPOUND STABILIZER | BAYER AKTIENGESELLSCHAFT (DE) | 1999-01-19 | — | — | US | disclosed |
| EP-0816354-A1 | Process for preparing and stabilisation of aliphatic six-membered cyclic carbonates | BAYER AG (DE) | 1998-01-07 | — | — | EP | disclosed |