Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.49 |
| ▸ | CA9 | Q16790 | 4/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6899893 | 0.83 | CA2 (0.52) | CA2CA9CA1NPC1RAB9A | |
| SCHEMBL10891319 | 0.78 | KEAP1 (0.40) | ALDH1A1TSHRKEAP1NFE2L2ALOX12 | |
| SCHEMBL11715905 | 0.78 | ALDH1A1 (0.38) | NPC1RAB9AALDH1A1KEAP1NFE2L2 | |
| SCHEMBL9432132 | 0.77 | CA9 (0.50) | CA2CA9CA1ALDH1A1HTT | |
| SCHEMBL11709351 | 0.76 | SLC40A1 (0.39) | ALDH1A1HTTTDP1SMN1; SMN2HPGD | |
| SCHEMBL9305833 | 0.74 | ALDH1A1 (0.38) | ALDH1A1TSHRKEAP1NFE2L2ALOX12 | |
| SCHEMBL5467517 | 0.74 | CA2 (0.59) | CA2CA9CA1NPC1RAB9A | |
| SCHEMBL28138262 | 0.74 | CA1 (0.41) | CA2CA9CA1ALDH1A1TSHR | |
| SCHEMBL28246768 | 0.74 | CA2 (0.63) | CA2CA9CA1ALDH1A1TSHR | |
| SCHEMBL6913134 | 0.73 | TSHR (0.41) | CA2CA9CA1NPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5340833-A | Antiarthritic, antiinflammatory, antitumor agents | EISAI CO., LTD. (JP) | 1994-08-23 | — | — | US | disclosed |
| EP-0568289-A2 | Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors | Eisai Co., Ltd. (JP) | 1993-11-03 | — | — | EP | disclosed |
| US-4007277-A | Phenyl- and 1-naphthyl-thiodeoxynupharidin-6-α-ols | RESEARCH CORPORATION (US) | 1977-02-08 | — | — | US | disclosed |