Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26910745 | 0.79 | MEN1 (0.50) | TSHRALDH1A1POLBHPGDNPSR1 | |
| SCHEMBL19873092 | 0.77 | TDP1 (0.48) | TDP1ALDH1A1POLBHPGDNPSR1 | |
| SCHEMBL2910035 | 0.75 | CHRNA4 (0.51) | TDP1ALDH1A1POLBHPGDNPSR1 | |
| SCHEMBL22823036 | 0.74 | TDP1 (0.45) | TDP1ALDH1A1POLBHPGDNPSR1 | |
| SCHEMBL30466252 | 0.74 | POLB (0.45) | TDP1ALDH1A1POLBHPGDNPSR1 | |
| Water SCHEMBL28920578 | 0.73 | TDP1 (0.58) | TDP1ALDH1A1POLBHPGDNPSR1 | |
| SCHEMBL27938062 | 0.73 | TDP1 (0.54) | TDP1ALDH1A1POLBHPGDNPSR1 | |
| Water SCHEMBL19857510 | 0.71 | TDP1 (0.56) | TDP1ALDH1A1POLBHPGDNPSR1 | |
| SCHEMBL6819262 | 0.71 | TDP1 (0.47) | TDP1ALDH1A1POLBHPGDNPSR1 | |
| SCHEMBL10984187 | 0.71 | TDP1 (0.47) | TDP1ALDH1A1POLBHPGDNPSR1 |
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-116897155-A | Benzothiazolyl bicyclo [1.1.1] pentane derivatives for the treatment and prevention of hepatitis b virus infection | 豪夫迈·罗氏有限公司 | 2023-10-17 | — | — | CN | disclosed |