Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 | P30556 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20865651 | 0.84 | CYP2C19 (0.40) | AGTR1NPC1RAB9AKMT2APOLB | |
| SCHEMBL10768232 | 0.75 | KMT2A (0.44) | AGTR1KMT2APOLBPKMPTPN1 | |
| SCHEMBL2519799 | 0.74 | TSHR (0.52) | KMT2APOLBPKMHSD17B10APP | |
| SCHEMBL2801832 | 0.74 | TSHR (0.52) | KMT2APOLBPKMHSD17B10APP | |
| SCHEMBL17845069 | 0.74 | APP (0.48) | KMT2APOLBPKMHSD17B10APP | |
| SCHEMBL2800477 | 0.71 | IDO1 (0.37) | AGTR1NPC1HSP90AA1RAB9APAX8 | |
| SCHEMBL12003527 | 0.71 | IDO1 (0.44) | NPC1RAB9AKMT2APOLBPKM | |
| SCHEMBL19062293 | 0.71 | APP (0.55) | NPC1KMT2APOLBPKMBLM | |
| SCHEMBL18105076 | 0.71 | APP (0.55) | NPC1KMT2APOLBPKMBLM | |
| SCHEMBL9669855 | 0.70 | — | — |
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-113024553-B | Triazolo tetrahydro-beta-carboline derivative and preparation method and application thereof | 皖南医学院 | 2022-02-25 | — | — | CN | disclosed |
| CN-113024553-A | Triazolo tetrahydro-beta-carboline derivative and preparation method and application thereof | 皖南医学院 | 2021-06-25 | — | — | CN | disclosed |