Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 11/20 | 0.71 |
| ▸ | KLK7 | P49862 | 1/20 | 0.58 |
| ▸ | ACE | P12821 | 1/20 | 0.58 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.56 |
| ▸ | CTSL | P07711 | 1/20 | 0.56 |
| ▸ | CTSS | P25774 | 1/20 | 0.56 |
| ▸ | CTSK | P43235 | 1/20 | 0.56 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.54 |
| ▸ | IL1RN | P18510 | 1/20 | 0.54 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.54 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL23501905 | 1.00 | TACR1 (0.71) | TACR1KLK7ACESCN9ACTSL | |
| SCHEMBL8697113 | 0.90 | TACR1 (0.82) | TACR1KLK7ACECTSLCTSS | |
| SCHEMBL5355362 | 0.90 | TACR1 (0.82) | TACR1KLK7ACECTSLCTSS | |
| SCHEMBL29397912 | 0.90 | TACR1 (0.82) | TACR1KLK7ACECTSLCTSS | |
| SCHEMBL16464197 | 0.90 | TACR1 (0.82) | TACR1KLK7ACECTSLCTSS | |
| SCHEMBL1176970 | 0.88 | TACR1 (0.65) | TACR1KLK7ACESCN9ACTSL | |
| SCHEMBL21310053 | 0.88 | TACR1 (0.62) | TACR1KLK7ACESCN9ACTSL | |
| SCHEMBL5123222 | 0.88 | TACR1 (0.62) | TACR1KLK7ACESCN9ACTSL | |
| SCHEMBL5123229 | 0.88 | TACR1 (0.62) | TACR1KLK7ACESCN9ACTSL | |
| SCHEMBL21292790 | 0.87 | ACE (0.62) | TACR1ACESCN9ACTSLCTSS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021118318-A2 | NOVEL INDOLE DERIVATIVE AND USE THEREOF | 주식회사 메타센테라퓨틱스 | 2021-06-17 | — | — | WO | disclosed |