Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | CHKA | P35790 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28722507 | 1.00 | TSHR (0.39) | TSHRALDH1A1SMN1; SMN2POLBHTT | |
| SCHEMBL112264 | 0.84 | RAB9A (0.44) | TSHRALDH1A1SMN1; SMN2POLBHTT | |
| SCHEMBL10263129 | 0.84 | TSHR (0.42) | TSHRALDH1A1SMN1; SMN2POLBHTT | |
| SCHEMBL26824211 | 0.84 | CA2 (0.37) | TSHRALDH1A1SMN1; SMN2POLBHTT | |
| SCHEMBL2730686 | 0.81 | CA2 (0.37) | TSHRALDH1A1SMN1; SMN2POLBHTT | |
| SCHEMBL21428418 | 0.81 | HTR1A (0.44) | TSHRALDH1A1SMN1; SMN2POLBHTT | |
| SCHEMBL27670383 | 0.81 | GAA (0.43) | TSHRALDH1A1SMN1; SMN2POLBHTT | |
| N-(Ethoxycarbonyl)Piperazine SCHEMBL3889276 | 0.80 | TSHR (0.57) | TSHRALDH1A1SMN1; SMN2POLBHTT | |
| N-(Ethoxycarbonyl)Piperazine SCHEMBL113765 | 0.80 | TSHR (0.57) | TSHRALDH1A1SMN1; SMN2POLBHTT | |
| SCHEMBL1679019 | 0.80 | TSHR (0.57) | TSHRALDH1A1SMN1; SMN2POLBHTT |
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-110088098-B | Quinazolinone PARP-1 inhibitor and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-04-15 | — | — | CN | disclosed |