Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Indene SCHEMBL28067320 | 0.93 | CYP3A4 (0.48) | CYP3A4TDP1CA1CA2CYP2D6 | |
| Indene SCHEMBL27563612 | 0.81 | CA1 (0.53) | CA1CA2CYP2D6CYP2C19PARP1 | |
| Indene SCHEMBL8617 | 0.79 | — | — | |
| Indene SCHEMBL8336138 | 0.79 | CA1 (0.55) | CA1CA2CYP2D6CYP2C19PARP1 | |
| Indene SCHEMBL29350094 | 0.79 | — | — | |
| SCHEMBL8909252 | 0.77 | CYP3A4 (0.43) | CYP3A4TDP1CA1CA2CYP2D6 | |
| Indene SCHEMBL2402448 | 0.77 | CA1 (0.50) | CA1CA2CYP2D6CYP2C19PARP1 | |
| Indene SCHEMBL2403318 | 0.77 | CA1 (0.50) | CA1CA2CYP2D6CYP2C19PARP1 | |
| Indene SCHEMBL23071394 | 0.77 | CA1 (0.53) | CA1CA2CYP2D6CYP2C19PARP1 | |
| Indene SCHEMBL8971559 | 0.77 | CA1 (0.53) | CA1CA2CYP2D6CYP2C19PARP1 |
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-104876929-A | Synthesis method and application of 1,2,3,4-tetrahydronaphthyridine compound | UNIV SOUTH CHINA TECH | 2015-09-02 | — | — | CN | claimed |
| CN-104876929-A | Synthesis method and application of 1,2,3,4-tetrahydronaphthyridine compound | UNIV SOUTH CHINA TECH | 2015-09-02 | — | — | CN | disclosed |