Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4458695 | 0.81 | TTR (0.68) | TTRCYP3A4TSHRTDP1ESR1 | |
| SCHEMBL1114408 | 0.79 | TTR (1.00) | TTRCYP3A4TSHRTDP1ESR1 | |
| SCHEMBL11806725 | 0.77 | TTR (0.62) | TTRCYP3A4TSHRTDP1ESR1 | |
| SCHEMBL4351080 | 0.77 | TTR (0.62) | TTRCYP3A4TSHRTDP1ESR1 | |
| SCHEMBL1191399 | 0.77 | TTR (0.62) | TTRCYP3A4TSHRTDP1ESR1 | |
| SCHEMBL29175300 | 0.77 | TTR (0.62) | TTRCYP3A4TSHRTDP1ESR1 | |
| SCHEMBL1191845 | 0.77 | TTR (0.62) | TTRCYP3A4TSHRTDP1ESR1 | |
| SCHEMBL9417182 | 0.75 | TTR (0.60) | TTRCYP3A4TSHRTDP1ESR1 | |
| SCHEMBL11802820 | 0.73 | GSK3B (0.67) | TTRCYP3A4TSHRTDP1ESR1 | |
| SCHEMBL27915966 | 0.73 | TTR (0.58) | TTRCYP3A4TSHRTDP1ESR1 |
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-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 |