Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL8607238 | 0.95 | — | — | |
| SCHEMBL7762648 | 0.80 | — | — | |
| Methylamine SCHEMBL4377431 | 0.77 | CES2 (0.41) | TSHRCES2CES1ALDH1A1TP53 | |
| SCHEMBL28494562 | 0.76 | TSHR (0.60) | TSHRCES2CES1ALDH1A1TDP1 | |
| SCHEMBL15887437 | 0.76 | TSHR (0.60) | TSHRCES2CES1ALDH1A1TDP1 | |
| SCHEMBL11575171 | 0.76 | TSHR (0.60) | TSHRCES2CES1ALDH1A1TDP1 | |
| SCHEMBL11165779 | 0.76 | TSHR (0.60) | TSHRCES2CES1ALDH1A1TDP1 | |
| SCHEMBL5480850 | 0.76 | TSHR (0.60) | TSHRCES2CES1ALDH1A1TDP1 | |
| SCHEMBL28508535 | 0.76 | TSHR (0.60) | TSHRCES2CES1ALDH1A1TDP1 | |
| Methylamine SCHEMBL5983832 | 0.75 | HDAC3 (0.43) | TSHRCES2CES1ALDH1A1HDAC3 |
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-106132400-A | Composition for treating ulcerative colitis | 希格默伊德药业有限公司 | 2016-11-16 | — | — | CN | disclosed |