Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.61 |
| ▸ | CA2 | P00918 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 SCHEMBL27403411 | 0.91 | CA1 (0.59) | CA1CA2CYP2D6CYP2C19PARP1 | |
| Indene SCHEMBL27841553 | 0.91 | CA1 (0.59) | CA1CA2CYP2D6CYP2C19PARP1 | |
| Indene SCHEMBL8336138 | 0.89 | CA1 (0.55) | CA1CA2CYP2D6CYP2C19PARP1 | |
| Indene SCHEMBL8617 | 0.89 | — | — | |
| Indene SCHEMBL29350094 | 0.89 | — | — | |
| Indene SCHEMBL25298459 | 0.86 | CA1 (0.50) | CA1CA2CYP2D6CYP2C19PARP1 | |
| Indene SCHEMBL27559721 | 0.86 | CA1 (0.55) | CA1CA2CYP2D6CYP2C19PARP1 | |
| Indene SCHEMBL2967405 | 0.86 | CA1 (0.53) | CA1CA2CYP2D6CYP2C19PARP1 | |
| Indene SCHEMBL6285027 | 0.86 | CA1 (0.53) | CA1CA2CYP2D6CYP2C19PARP1 | |
| Indene SCHEMBL23301011 | 0.86 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114181229-A | Organic small-molecule photovoltaic material based on benzopyrazine donor nucleus and preparation method and application thereof | 国家纳米科学中心 | 2022-03-15 | — | — | CN | disclosed |