Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.52 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21066539 | 0.88 | PDCD1 (0.49) | PDCD1CD274TDP1CA1CA2 | |
| SCHEMBL22452272 | 0.87 | FPR3 (0.47) | PDCD1CD274TDP1CA1CA2 | |
| SCHEMBL6076877 | 0.87 | HPGD (0.49) | PDCD1CD274CA1CA2CHRM2 | |
| SCHEMBL12310009 | 0.87 | CA1 (0.47) | PDCD1CD274TDP1CA1CA2 | |
| SCHEMBL1724201 | 0.87 | GAA (0.60) | PDCD1CD274TDP1CA1CA2 | |
| SCHEMBL22605044 | 0.87 | ATM (0.58) | PDCD1CD274TDP1CA1CA2 | |
| SCHEMBL894822 | 0.87 | ATM (0.58) | PDCD1CD274TDP1CA1CA2 | |
| SCHEMBL5796279 | 0.86 | L3MBTL1 (0.56) | TDP1MAPTCA1CA2HDAC1 | |
| SCHEMBL21066545 | 0.86 | KMT2A (0.52) | CA1CA2CHRM2NPC1L3MBTL1 | |
| SCHEMBL22604937 | 0.86 | CD274 (0.53) | PDCD1CD274TDP1MAPTCA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |