Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MMP3 | P08254 | 2/20 | 0.44 |
| ▸ | MMP9 | P14780 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12310322 | 1.00 | TSHR (0.56) | TSHRALDH1A1TDP1MMP3MMP9 | |
| SCHEMBL12310519 | 1.00 | TSHR (0.56) | TSHRALDH1A1TDP1MMP3MMP9 | |
| SCHEMBL12260234 | 0.88 | TSHR (0.58) | TSHRALDH1A1TDP1MMP3MMP9 | |
| SCHEMBL12310321 | 0.88 | TSHR (0.58) | TSHRALDH1A1TDP1MMP3MMP9 | |
| SCHEMBL12310325 | 0.86 | TSHR (0.55) | TSHRALDH1A1TDP1MMP3MMP9 | |
| SCHEMBL12310317 | 0.84 | TSHR (0.51) | TSHRALDH1A1TDP1MMP3MMP9 | |
| SCHEMBL12310308 | 0.84 | TSHR (0.53) | TSHRALDH1A1TDP1MMP3MMP9 | |
| SCHEMBL14296911 | 0.83 | TSHR (0.62) | TSHRALDH1A1TDP1MMP3MMP9 | |
| SCHEMBL1723696 | 0.81 | TSHR (0.59) | TSHRALDH1A1TDP1MMP3MMP9 | |
| SCHEMBL1728089 | 0.81 | TSHR (0.59) | TSHRALDH1A1TDP1MMP3MMP9 |
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-2018039641-A1 | METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES | PHARMATROPHIX, INC. (US) | 2018-03-01 | — | — | WO | disclosed |