Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.31 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL27923056 | 0.84 | ALDH1A1 (0.32) | TSHRALDH1A1TDP1GABBR2GABBR1 | |
| Butanol SCHEMBL18249458 | 0.81 | TSHR (0.56) | TSHRALDH1A1TDP1ALOX15USP2 | |
| Propylene Glycol SCHEMBL28137109 | 0.81 | TDP1 (0.56) | TSHRALDH1A1TDP1ALOX15USP2 | |
| Formic Acid SCHEMBL30166488 | 0.80 | ALDH1A1 (0.37) | TSHRALDH1A1TDP1GABBR2GABBR1 | |
| Formic Acid SCHEMBL10635397 | 0.80 | — | — | |
| Dimethylformamide SCHEMBL28247650 | 0.80 | — | — | |
| Dimethylformamide SCHEMBL5861397 | 0.80 | — | — | |
| Trimethylammonium SCHEMBL27738013 | 0.80 | — | — | |
| Formic Acid SCHEMBL27128879 | 0.78 | — | — | |
| Dimethylformamide SCHEMBL277527 | 0.77 | TSHR (0.45) | TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2734499-A1 | MEROCYANINE DERIVATIVES | BASF SE (DE) | 2014-05-28 | — | — | EP | disclosed |
| WO-2013011480-A1 | MEROCYANINE DERIVATIVES | BASF SE (DE) | 2013-01-24 | — | — | WO | disclosed |