Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 1.00 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.35 |
| ▸ | LOX | P28300 | 1/20 | 0.35 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL150486 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL1258393 | 0.97 | — | — | |
| SCHEMBL28065323 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL27676072 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL27676073 | 0.94 | — | — | |
| Butadiene SCHEMBL27967344 | 0.94 | ALDH1A1 (0.88) | ALDH1A1TDP1NPSR1TSHRLOX | |
| SCHEMBL28170729 | 0.91 | — | — | |
| SCHEMBL27734428 | 0.91 | ALDH1A1 (0.83) | ALDH1A1TDP1NPSR1TSHRLOX | |
| SCHEMBL23726379 | 0.89 | ALDH1A1 (0.79) | ALDH1A1TDP1NPSR1 | |
| SCHEMBL11747353 | 0.89 | ALDH1A1 (0.79) | ALDH1A1TDP1NPSR1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-103502206-B | For the preparation of the method for nitrile | INVISTA TECHNOLOGIES S.A.R.L. (CH) | 2016-01-13 | — | — | CN | disclosed |