Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 1/20 | 0.52 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.44 |
| ▸ | CHRNA10 | Q9GZZ6 | 2/20 | 0.44 |
| ▸ | CHRNA9 | Q9UGM1 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27528605 | 0.84 | NPC1 (0.67) | NPC1CHRNB4CHRNA3CHRNA7CHRNA10 | |
| SCHEMBL5485659 | 0.84 | IMPDH2 (0.73) | IMPDH2IMPDH1NPC1RIPK1CHRNB4 | |
| Tert-Butyl Formate SCHEMBL27528608 | 0.77 | NPC1 (0.56) | NPC1CHRNB4CHRNA3CHRNA7CHRNA10 | |
| Tert-Butyl Formate SCHEMBL28031587 | 0.76 | CYP2A6 (0.40) | IMPDH2IMPDH1MAPTSLC6A2SLC6A4 | |
| Tert-Butyl Formate SCHEMBL27752469 | 0.74 | CYP2A6 (0.46) | IMPDH2IMPDH1NPC1CA12CA1 | |
| Tert-Butyl Formate SCHEMBL27591863 | 0.74 | AHR (0.64) | NPC1MAPTCYP2A6 | |
| Tert-Butyl Formate SCHEMBL27623661 | 0.74 | USP2 (0.64) | PTGS2MAPTCYP2A6 | |
| Tert-Butyl Formate SCHEMBL27751361 | 0.74 | AHR (0.64) | IMPDH2IMPDH1NPC1MAPTCYP2A6 | |
| Tert-Butyl Formate SCHEMBL28000739 | 0.74 | CYP2A6 (0.46) | IMPDH2IMPDH1NPC1CA12CA1 | |
| SCHEMBL91366 | 0.71 | IMPDH2 (1.00) | IMPDH2IMPDH1NPC1RIPK1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1738814-A | Indolyl pyrazinone derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis | BAYER PHARMACEUTICALS CORP (US) | 2006-02-22 | — | — | CN | disclosed |