Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.31 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.31 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9492960 | 0.92 | PDCD1 (0.38) | PDCD1CD274CYP3A4CYP2C19HDAC3 | |
| SCHEMBL9493733 | 0.92 | PDCD1 (0.36) | PDCD1CD274CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL7324643 | 0.91 | PDCD1 (0.36) | PDCD1CD274SIGMAR1TPSAB1TPSD1 | |
| SCHEMBL9494267 | 0.91 | PDCD1 (0.36) | PDCD1CD274CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL9493643 | 0.90 | PDCD1 (0.35) | PDCD1CD274CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL7327994 | 0.90 | NR1H2 (0.31) | — | |
| SCHEMBL7322604 | 0.85 | SCN9A (0.32) | PDCD1CD274GAA | |
| SCHEMBL9493013 | 0.84 | PDCD1 (0.37) | PDCD1CD274CYP3A4CYP2C19HDAC3 | |
| SCHEMBL7328669 | 0.83 | PDCD1 (0.37) | PDCD1CD274SIGMAR1TPSAB1TPSD1 | |
| SCHEMBL7318601 | 0.83 | TPSAB1 (0.36) | PDCD1CD274HDAC3HDAC1HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| US-5250679-A | Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor | GENENTECH, INC. (US) | 1993-10-05 | — | — | US | disclosed |