Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | CBX7 | O95931 | 1/20 | 0.35 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.35 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.35 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 2/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16166401 | 1.00 | AKR1B1 (0.40) | AKR1B1IDO1CBX7CDYL2CDYL | |
| SCHEMBL16166210 | 0.92 | KCNT1 (0.39) | AKR1B1 | |
| SCHEMBL16166745 | 0.91 | ELOVL6 (0.37) | AKR1B1HTR2CHTR2B | |
| SCHEMBL16175826 | 0.91 | NPBWR1 (0.44) | AKR1B1CBX7CDYLALDH1A1MEN1 | |
| SCHEMBL16166535 | 0.91 | AKR1B1 (0.35) | AKR1B1ALDH1A1POLBMEN1KMT2A | |
| SCHEMBL16166284 | 0.89 | AKR1B1 (0.36) | AKR1B1HTR2CHTR2B | |
| SCHEMBL16175837 | 0.89 | NPBWR1 (0.44) | CBX7CDYLALDH1A1MEN1KMT2A | |
| SCHEMBL16166565 | 0.89 | HTR2C (0.38) | AKR1B1ALDH1A1TSHRHTR2C | |
| SCHEMBL16166409 | 0.89 | AKR1B1 (0.36) | AKR1B1CBX7CDYL2CDYLCDY1; CDY1B | |
| SCHEMBL16166339 | 0.89 | IP6K1 (0.42) | AKR1B1IDO1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014167528-A1 | SPIROPYRAZOLOPYRIDINE DERIVATIVES AND USES THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS | NOVARTIS AG (CH) | 2014-10-16 | — | — | WO | disclosed |
| WO-2014167528-A1 | SPIROPYRAZOLOPYRIDINE DERIVATIVES AND USES THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS | NOVARTIS AG (CH) | 2014-10-16 | — | — | WO | disclosed |