Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 3/20 | 0.57 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.57 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15933637 | 0.84 | PDCD1 (0.57) | PDCD1CD274TLR8TLR7IDO1 | |
| SCHEMBL15933639 | 0.84 | PDCD1 (0.57) | PDCD1CD274HPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL15933520 | 0.84 | PDCD1 (0.64) | PDCD1CD274SMN1; SMN2NPC1RAB9A | |
| SCHEMBL15933472 | 0.83 | PDCD1 (0.52) | PDCD1CD274AHRNPC1RAB9A | |
| SCHEMBL15933521 | 0.83 | PDCD1 (0.69) | PDCD1CD274HPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL15933691 | 0.82 | PDCD1 (0.55) | PDCD1CD274ALDH1A1TSHRTLR8 | |
| SCHEMBL15933519 | 0.81 | PDCD1 (0.57) | PDCD1CD274ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL15933529 | 0.81 | PDCD1 (0.54) | PDCD1CD274HPGDALDH1A1HTT | |
| SCHEMBL15933688 | 0.77 | PDCD1 (0.55) | PDCD1CD274HPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL5112559 | 0.76 | PDCD1 (0.53) | PDCD1CD274TLR8TLR7 |
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-2014117318-A1 | NOVEL TRIAZOLE ANTIFUNGAL COMPOUNDS, AND PHARMACEUTICAL COMPOSITION, PREPARATION METHOD, AND APPLICATION THEREOF | 中国科学院上海药物研究所 (CN) | 2014-08-07 | — | — | WO | disclosed |