Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL29826244 | 0.89 | ALDH1A1 (0.48) | GABRA1GABRB2ALDH1A1TSHRTDP1 | |
| SCHEMBL3762017 | 0.89 | ALDH1A1 (0.48) | GABRA1GABRB2ALDH1A1TSHRTDP1 | |
| SCHEMBL4480 | 0.82 | TSHR (0.53) | ALDH1A1TSHRTDP1CA2ACHE | |
| SCHEMBL3127305 | 0.82 | TSHR (0.53) | ALDH1A1TSHRTDP1CA2ACHE | |
| SCHEMBL29357701 | 0.82 | TSHR (0.53) | ALDH1A1TSHRTDP1CA2ACHE | |
| SCHEMBL15732306 | 0.82 | HSD11B1 (0.38) | ALDH1A1TSHRTDP1ACHE | |
| SCHEMBL1991572 | 0.79 | TSHR (0.50) | ALDH1A1TSHRTDP1CA2ACHE | |
| SCHEMBL18425305 | 0.79 | TSHR (0.50) | ALDH1A1TSHRTDP1CA2ACHE | |
| Hydrochloric Acid SCHEMBL2857411 | 0.79 | TSHR (0.50) | ALDH1A1TSHRTDP1CA2ACHE | |
| SCHEMBL138533 | 0.79 | TSHR (0.50) | ALDH1A1TSHRTDP1CA2ACHE |
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-2014081616-A1 | PREPARATION OF PRECURSORS FOR LEUKOTRIENE ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2014-05-30 | — | — | WO | disclosed |