Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| Butyrolactone SCHEMBL3294240 | 0.94 | CA1 (0.42) | ALDH1A1HSD17B10LMNACA1CA9 | |
| Butyrolactone SCHEMBL9134210 | 0.94 | CA1 (0.42) | ALDH1A1HSD17B10LMNACA1CA9 | |
| Ethyl Acetate SCHEMBL2248792 | 0.89 | ALDH1A1 (0.50) | ALDH1A1HSD17B10LMNACA1CA9 | |
| Ethyl Pyruvate SCHEMBL8667552 | 0.83 | CA1 (0.35) | CA1CA9CYP2D6 | |
| Ethyl Acetate SCHEMBL15644239 | 0.80 | ALDH1A1 (0.40) | ALDH1A1HSD17B10LMNACA1CA9 | |
| Acetic Acid Pentyl Ester SCHEMBL2253603 | 0.79 | ALDH1A1 (0.46) | ALDH1A1HSD17B10LMNACA1CA9 | |
| Ethyl Acetate SCHEMBL3049363 | 0.79 | ALDH1A1 (0.41) | ALDH1A1HSD17B10LMNACA1CA9 | |
| Butyrolactone SCHEMBL17237549 | 0.79 | CA1 (0.45) | ALDH1A1HSD17B10LMNACA1CA9 | |
| Butyrolactone SCHEMBL2696582 | 0.78 | CA1 (0.48) | ALDH1A1HSD17B10LMNACA1CA9 | |
| Ethyl Acetate SCHEMBL20496512 | 0.78 | ALDH1A1 (0.67) | ALDH1A1HSD17B10LMNACYP2D6HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1371693-A2 | Damage resistant coatings, films and articles of manufacture containing crosslinked nanoparticles | ROHM AND HAAS COMPANY (US) | 2003-12-17 | — | — | EP | disclosed |