Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.34 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.34 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.32 |
| ▸ | ABAT | P80404 | 1/20 | 0.32 |
| ▸ | AOX1 | Q06278 | 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 | |
|---|---|---|---|---|
| SCHEMBL10620281 | 0.82 | ALDH1A1 (0.52) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL10619177 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL27436316 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL2232812 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL27496098 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL2237311 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL17627905 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL27917016 | 0.76 | PTGS2 (0.51) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL1426688 | 0.76 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL7988202 | 0.76 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TDP1PTGS2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-104271567-A | Substituted pyrazole-containing compounds and their use as pesticides | BASF SE | 2015-01-07 | — | — | CN | disclosed |
| WO-2008137102-A2 | METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR | TORREYPINES THERAPEUTICS, INC. (US) | 2008-11-13 | — | — | WO | disclosed |