Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL732202 | 0.97 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| SCHEMBL30772132 | 0.97 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| SCHEMBL22367879 | 0.95 | ALDH1A1 (0.48) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| Water SCHEMBL9956053 | 0.95 | ALDH1A1 (0.48) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| SCHEMBL27669481 | 0.90 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| SCHEMBL9396200 | 0.81 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| Tromethamine SCHEMBL6864022 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| SCHEMBL28696471 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| Trifluoromethanesulfonic Acid SCHEMBL4225729 | 0.78 | TSHR (0.44) | ALDH1A1TDP1TSHRCA2CYP1A2 | |
| SCHEMBL5983424 | 0.77 | ALDH1A1 (0.36) | ALDH1A1TDP1TSHRCA2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005052071-A1 | DIGITAL PRINTING INK COMPOSITION | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 2005-06-09 | — | — | WO | disclosed |