Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SI | P14410 | 1/20 | 0.31 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | KDM5A | P29375 | 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 | |
|---|---|---|---|---|
| SCHEMBL25424617 | 0.88 | ALDH1A1 (0.48) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL27995532 | 0.82 | ALOX15 (0.33) | ALDH1A1TSHRALOX15MGAMGAA | |
| SCHEMBL29110926 | 0.81 | CES2 (0.45) | CTSDALDH1A1CES2CES1HDAC3 | |
| SCHEMBL11322373 | 0.77 | CES2 (0.41) | CTSDALDH1A1CES2CES1HDAC3 | |
| SCHEMBL7778538 | 0.75 | ALDH1A1 (0.39) | ALDH1A1TSHRMGAMGAASI | |
| SCHEMBL10577671 | 0.74 | TAS1R3 (0.31) | TP53MEN1KMT2A | |
| SCHEMBL27949340 | 0.71 | — | — | |
| SCHEMBL11781368 | 0.69 | — | — | |
| SCHEMBL4088252 | 0.69 | — | — | |
| SCHEMBL2245005 | 0.69 | — | — |
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-104736519-B | Indoline-like | 霍夫曼-拉罗奇有限公司 | 2018-12-04 | — | — | CN | disclosed |