Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | AGXT | P21549 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 3/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL11400752 | 0.78 | MAOB (0.52) | CYP2A6CYP1A2TAAR1AGXTIDO1 | |
| SCHEMBL9064997 | 0.78 | IDO1 (0.50) | CYP2A6CYP1A2TAAR1AGXTIDO1 | |
| SCHEMBL10635864 | 0.77 | AGXT (0.50) | CYP2A6CYP1A2TAAR1AGXTIDO1 | |
| SCHEMBL2132369 | 0.77 | AGXT (0.50) | CYP2A6CYP1A2TAAR1AGXTIDO1 | |
| SCHEMBL7642459 | 0.76 | IDO1 (0.48) | CYP2A6CYP1A2TAAR1AGXTIDO1 | |
| SCHEMBL3465880 | 0.76 | IDO1 (0.48) | CYP2A6CYP1A2TAAR1AGXTIDO1 | |
| SCHEMBL29443 | 0.76 | IDO1 (0.48) | CYP2A6CYP1A2TAAR1AGXTIDO1 | |
| SCHEMBL13214792 | 0.76 | IDO1 (0.48) | CYP2A6CYP1A2TAAR1AGXTIDO1 | |
| SCHEMBL6083608 | 0.74 | IDO1 (0.46) | CYP2A6CYP1A2TAAR1AGXTIDO1 | |
| SCHEMBL14473368 | 0.74 | IDO1 (0.46) | CYP2A6CYP1A2TAAR1AGXTIDO1 |
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-113462662-B | Enzyme for preparing chiral tetrahydro beta-carboline and preparation method and application thereof | 上海交通大学 | 2022-11-11 | — | — | CN | disclosed |
| CN-113462662-A | Enzyme for preparing chiral tetrahydro beta-carboline and preparation method and application thereof | 上海交通大学 | 2021-10-01 | — | — | CN | disclosed |