Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30640280 | 1.00 | SLC6A4 (0.48) | SLC6A4SLC6A3XDHHSPB1CYP1A2 | |
| SCHEMBL30640278 | 0.81 | SLC6A4 (0.52) | SLC6A4SLC6A3CYP1A2HPGDKDM4E | |
| SCHEMBL28495134 | 0.81 | SLC6A4 (0.52) | SLC6A4SLC6A3CYP1A2HPGDKDM4E | |
| SCHEMBL28486666 | 0.81 | HSPB1 (0.44) | SLC6A4SLC6A3XDHHSPB1CYP1A2 | |
| SCHEMBL24579568 | 0.81 | SLC6A3 (0.61) | SLC6A4SLC6A3XDHCYP1A2HPGD | |
| SCHEMBL2424186 | 0.76 | TDP1 (0.61) | XDHHSPB1CYP1A2HPGDKDM4E | |
| SCHEMBL17966270 | 0.75 | ALDH1A1 (0.46) | SLC6A4SLC6A3HSPB1CYP1A2HPGD | |
| SCHEMBL3787884 | 0.74 | HSPB1 (0.44) | XDHHSPB1KDM4EALDH1A1TDP1 | |
| SCHEMBL29410907 | 0.74 | SLC6A3 (0.50) | SLC6A4SLC6A3HPGDALDH1A1HPRT1 | |
| SCHEMBL10991405 | 0.72 | TDP1 (0.50) | KDM4ETDP1MEN1KMT2AL3MBTL1 |
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-112079830-B | Inhibitor containing fused ring derivative, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-12-22 | — | — | CN | disclosed |
| CN-112079830-A | Fused ring-containing derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2020-12-15 | — | — | CN | disclosed |