Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 2/20 | 0.31 |
| ▸ | CTSB | P07858 | 2/20 | 0.31 |
| ▸ | CTSS | P25774 | 2/20 | 0.31 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | PRMT5 | O14744 | 3/20 | 0.31 |
| ▸ | WDR77 | Q9BQA1 | 3/20 | 0.31 |
| ▸ | ATM | Q13315 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24165696 | 1.00 | PTPN1 (0.34) | PTPN1P2RX3NR1H2CTSLCTSB | |
| SCHEMBL3303917 | 0.88 | MEN1 (0.36) | P2RX3NR1H2ATMMEN1KMT2A | |
| SCHEMBL24166249 | 0.88 | MEN1 (0.36) | P2RX3NR1H2ATMMEN1KMT2A | |
| SCHEMBL24166233 | 0.85 | POLB (0.33) | P2RX3NR1H2CTSLCTSBCTSS | |
| SCHEMBL25475445 | 0.85 | POLB (0.33) | P2RX3NR1H2CTSLCTSBCTSS | |
| SCHEMBL25475444 | 0.83 | TLR2 (0.35) | P2RX3NR1H2ATMMEN1KMT2A | |
| SCHEMBL24165981 | 0.83 | TLR2 (0.35) | P2RX3NR1H2ATMMEN1KMT2A | |
| SCHEMBL3301971 | 0.80 | HSD17B10 (0.38) | NR1H2CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL3304315 | 0.80 | HSD17B10 (0.38) | NR1H2CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL24166273 | 0.79 | PTPN1 (0.31) | PTPN1 |
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-2022006537-A1 | PHARMACEUTICAL COMPOSITIONS OF 6-(2-(2H-TETRAZOL-5-YL)ETHYL)-6-FLUORODECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID AND ESTER DERIVATIVES THEREOF | SEA PHARMACEUTICALS LLC (US) | 2022-01-06 | — | — | WO | disclosed |