Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 2/20 | 0.44 |
| ▸ | QPCT | Q16769 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL529880 | 0.94 | TBXAS1 (0.47) | TBXAS1QPCTPOLBCYP3A4CYP2D6 | |
| SCHEMBL10770404 | 0.92 | TBXAS1 (0.50) | TBXAS1QPCTPOLBCYP3A4CYP2D6 | |
| SCHEMBL28881459 | 0.92 | TBXAS1 (0.50) | TBXAS1QPCTPOLBCYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL28469122 | 0.91 | TBXAS1 (0.49) | TBXAS1QPCTPOLBCYP3A4CYP2D6 | |
| SCHEMBL5393991 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL9020707 | 0.86 | QPCT (0.39) | TBXAS1QPCTCYP3A4CYP2D6CYP1A2 | |
| SCHEMBL28030942 | 0.80 | CA12 (0.33) | TBXAS1CYP3A4CYP2D6CYP1A2CYP2C9 | |
| SCHEMBL4648272 | 0.79 | CYP4Z1 (0.37) | POLBCYP2C19TSHRCA12CA1 | |
| SCHEMBL2786027 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL27744922 | 0.77 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116687858-B | Medicine for treating HER2 high-expression tumor | 上海唯骢生物医药科技有限公司 | 2024-03-15 | — | — | CN | claimed |
| CN-116687858-A | Efficient and safe medicine for treating HER2 high-expression tumor | 上海唯骢生物医药科技有限公司 | 2023-09-05 | — | — | CN | claimed |
| CN-116687858-B | Medicine for treating HER2 high-expression tumor | 上海唯骢生物医药科技有限公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-116687858-A | Efficient and safe medicine for treating HER2 high-expression tumor | 上海唯骢生物医药科技有限公司 | 2023-09-05 | — | — | CN | disclosed |
| CN-104470523-B | Compound based on imidazo [1,2 b] pyridazine, comprising their compositions and its application method | 莱西肯医药有限公司 | 2017-07-11 | — | — | CN | disclosed |