Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 11/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.36 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TOP2A | P11388 | 1/20 | 0.35 |
| ▸ | TOP2B | Q02880 | 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 | |
|---|---|---|---|---|
| SCHEMBL586545 | 0.93 | PARP10 (0.53) | PARP10TACR1ALOX15CYP1A2CYP3A4 | |
| SCHEMBL11795798 | 0.78 | PARP10 (0.41) | PARP10ALDH1A1TACR1ALOX15CYP1A2 | |
| SCHEMBL12220491 | 0.77 | NPC1 (0.48) | PARP10TACR1CYP1A2CYP3A4EGFR | |
| SCHEMBL7656159 | 0.75 | IDO1 (0.59) | FFAR4POLB | |
| SCHEMBL23158847 | 0.75 | ALDH1A1 (0.52) | PARP10ALDH1A1TSHRTACR1 | |
| SCHEMBL9686081 | 0.75 | ALDH1A1 (0.55) | PARP10ALDH1A1TACR1CYP3A4EGFR | |
| SCHEMBL5971176 | 0.75 | ALDH1A1 (0.55) | PARP10ALDH1A1TACR1CYP3A4EGFR | |
| SCHEMBL15693295 | 0.75 | ACHE (0.47) | — | |
| SCHEMBL3297072 | 0.74 | HTT (0.48) | ALDH1A1TSHRALOX15POLB | |
| SCHEMBL13586898 | 0.73 | ALDH1A1 (0.53) | PARP10ALDH1A1TACR1CYP1A2CYP3A4 |
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-107295798-A | Benzazepine dicarboxamide compound | 豪夫迈·罗氏有限公司 | 2017-10-24 | — | — | CN | disclosed |