Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | CASP6 | P55212 | 1/20 | 0.50 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | EIF4E | P06730 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28669741 | 0.87 | ALDH1A1 (0.64) | ALDH1A1TDP1CASP6HCAR3TSHR | |
| SCHEMBL2349847 | 0.85 | ALDH1A1 (0.70) | ALDH1A1TDP1CASP6HCAR3TSHR | |
| SCHEMBL31548567 | 0.83 | CASP6 (0.64) | ALDH1A1CASP6HCAR3TSHRLMNA | |
| SCHEMBL9761836 | 0.82 | ALDH1A1 (0.76) | ALDH1A1TDP1LMNACRHBPCRHR2 | |
| SCHEMBL30641919 | 0.81 | TPMT (0.55) | ALDH1A1TDP1CASP6TSHRTP53 | |
| Bicarbonate SCHEMBL27502524 | 0.80 | ALDH1A1 (0.88) | ALDH1A1TDP1TSHRLMNACRHBP | |
| SCHEMBL9186578 | 0.80 | CASP6 (0.64) | ALDH1A1TDP1CASP6HCAR3TSHR | |
| SCHEMBL29908924 | 0.80 | DHODH (0.57) | TSHRKMT2A | |
| SCHEMBL28002286 | 0.80 | TSHR (0.58) | ALDH1A1TDP1TSHREIF4E | |
| SCHEMBL17177867 | 0.79 | ALDH1A1 (0.85) | ALDH1A1TDP1TSHRLMNACRHBP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112397690-A | Method for in-situ construction of surface coating layer based on metal-organic framework material | 中国科学院化学研究所 | 2021-02-23 | — | — | CN | claimed |
| CN-112397690-A | Method for in-situ construction of surface coating layer based on metal-organic framework material | 中国科学院化学研究所 | 2021-02-23 | — | — | CN | disclosed |