Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29382870 | 0.90 | PKM (0.49) | PKMLMNAPOLBHPGDCYP3A4 | |
| SCHEMBL28595292 | 0.90 | PKM (0.49) | PKMLMNAPOLBHPGDCYP3A4 | |
| SCHEMBL28577274 | 0.82 | PKM (0.53) | PKMLMNAPOLBHPGDALDH1A1 | |
| SCHEMBL28589487 | 0.82 | PKM (0.53) | PKMLMNAPOLBHPGDALDH1A1 | |
| SCHEMBL28586318 | 0.78 | PKM (0.49) | PKMLMNAPOLBHPGDALDH1A1 | |
| SCHEMBL29382261 | 0.78 | PKM (0.49) | PKMLMNAPOLBHPGDALDH1A1 | |
| SCHEMBL29381728 | 0.77 | PKM (0.48) | PKMLMNAPOLBHPGDCYP3A4 | |
| SCHEMBL28581466 | 0.77 | PKM (0.48) | PKMLMNAPOLBHPGDCYP3A4 | |
| SCHEMBL28581232 | 0.75 | PKM (0.49) | PKMPOLBHPGDCYP3A4DDAH1 | |
| SCHEMBL28409049 | 0.75 | PKM (0.41) | PKMPOLBCYP3A4ALDH1A1KDM4E |
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-112898296-B | Axial chiral 4-aryl alpha-carboline compound and asymmetric synthesis method thereof | 中国药科大学 | 2022-02-11 | — | — | CN | disclosed |
| CN-112898296-A | Axial chiral 4-aryl alpha-carboline compound and asymmetric synthesis method thereof | 中国药科大学 | 2021-06-04 | — | — | CN | disclosed |