Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14212551 | 0.87 | ALDH1A1 (0.41) | ALDH1A1CYP3A4CYP2C19CYP2C9POLB | |
| SCHEMBL9149710 | 0.86 | ALDH1A1 (0.43) | ALDH1A1POLBKMT2ATRPA1MAPK1 | |
| SCHEMBL11920271 | 0.85 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2C19CYP2C9POLB | |
| SCHEMBL16897503 | 0.84 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2C19CYP2C9POLB | |
| SCHEMBL12346121 | 0.84 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2C19CYP2C9POLB | |
| SCHEMBL17682272 | 0.83 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP2C19CYP2C9POLB | |
| SCHEMBL7308023 | 0.81 | TSHR (0.41) | ALDH1A1CYP3A4CYP2C19POLBKMT2A | |
| SCHEMBL12161 | 0.81 | ALDH1A1 (0.38) | ALDH1A1CYP3A4CYP2C19CYP2C9POLB | |
| SCHEMBL25986067 | 0.81 | ALDH1A1 (0.38) | ALDH1A1CYP3A4CYP2C19CYP2C9POLB | |
| SCHEMBL10263 | 0.80 | ALDH1A1 (0.38) | ALDH1A1CYP3A4CYP2C19CYP2C9POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010046388-A1 | SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS | GLAXO GROUP LIMITED (GB) | 2010-04-29 | — | — | WO | disclosed |
| US-6503910-B1 | Metalloproteinase inhibitors; antimetastasis agents; arthritis, neurodegenerative disorder treatment | DARWIN DISCOVERY LTD. (GB) | 2003-01-07 | — | — | US | disclosed |
| EP-1177183-A1 | HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES | Darwin Discovery Limited (GB) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000069839-A1 | HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES | DARWIN DISCOVERY LIMITED (GB) | 2000-11-23 | — | — | WO | disclosed |