Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.76 |
| ▸ | MGLL | Q99685 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ARG2 | P78540 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| Styrylboronic Acid SCHEMBL4168786 | 0.87 | CA1 (1.00) | CA1MGLLCA2GLATDP1 | |
| Styrylboronic Acid SCHEMBL144461 | 0.87 | CA1 (1.00) | CA1MGLLCA2GLATDP1 | |
| Styrylboronic Acid SCHEMBL144460 | 0.87 | CA1 (1.00) | CA1MGLLCA2GLATDP1 | |
| (Z)-1,2-Diphenylethene SCHEMBL28271366 | 0.85 | CA1 (0.52) | CA1CYP2C19EGFRGLATDP1 | |
| (Z)-1,2-Diphenylethene SCHEMBL28629609 | 0.85 | CA1 (0.52) | CA1CYP2C19EGFRGLATDP1 | |
| Styrylboronic Acid SCHEMBL4390084 | 0.85 | CA1 (0.95) | CA1MGLLCA2GLATDP1 | |
| SCHEMBL1627257 | 0.77 | CA1 (0.48) | CA1MGLLCYP2C19EGFRGLA | |
| SCHEMBL3953597 | 0.77 | CA1 (0.48) | CA1MGLLCYP2C19EGFRGLA | |
| SCHEMBL12260418 | 0.75 | CA1 (1.00) | CA1MGLLCA2EGFRMAOB | |
| SCHEMBL2910475 | 0.75 | CA1 (1.00) | CA1MGLLCA2EGFRMAOB |
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-112979648-B | Synthesis method of gamma-carboline derivative | 江汉大学 | 2023-12-29 | — | — | CN | disclosed |
| CN-112979648-A | Synthesis method of gamma-carboline derivative | 江汉大学 | 2021-06-18 | — | — | CN | disclosed |