Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL287345 | 0.81 | SMN1; SMN2 (0.44) | TSHRALDH1A1AKR1C3AKR1C1TRPA1 | |
| SCHEMBL5932426 | 0.79 | TSHR (0.45) | TSHRALDH1A1AKR1C3AKR1C1KMT2A | |
| SCHEMBL2835326 | 0.77 | ALDH1A1 (0.50) | TSHRALDH1A1AKR1C3AKR1C1KMT2A | |
| SCHEMBL5932510 | 0.77 | TSHR (0.44) | TSHRALDH1A1AKR1C3AKR1C1KMT2A | |
| SCHEMBL7699172 | 0.77 | ALDH1A1 (0.50) | TSHRALDH1A1AKR1C3AKR1C1KMT2A | |
| SCHEMBL15453000 | 0.77 | TSHR (0.44) | TSHRALDH1A1AKR1C3AKR1C1KMT2A | |
| SCHEMBL9768835 | 0.77 | CTSD (0.52) | CTSDTSHRALDH1A1KMT2ACYP2D6 | |
| SCHEMBL8964823 | 0.76 | TSHR (0.52) | TSHRALDH1A1KMT2ACYP2D6HTT | |
| SCHEMBL2453510 | 0.76 | TSHR (0.52) | TSHRALDH1A1KMT2ACYP2D6HTT | |
| SCHEMBL8965019 | 0.76 | KLK7 (0.46) | TSHRALDH1A1CYP2D6HTTCYP1A2 |
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-107417616-A | Methods and compositions for treating beta-thalassemia and sickle cell disease | 中央研究院 | 2017-12-01 | — | — | CN | disclosed |