Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | NT5E | P21589 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | IP6K1 | Q92551 | 2/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16175845 | 1.00 | AKR1B1 (0.40) | AKR1B1IDO1MEN1KMT2ACYP46A1 | |
| SCHEMBL16166462 | 0.93 | AKR1B1 (0.37) | AKR1B1 | |
| SCHEMBL16166437 | 0.92 | AKR1B1 (0.38) | AKR1B1MCHR1NT5ECYP2C19 | |
| SCHEMBL16166281 | 0.91 | AKR1B1 (0.35) | AKR1B1MCHR1NT5ECYP2C19 | |
| SCHEMBL16175853 | 0.91 | AKR1B1 (0.34) | AKR1B1MEN1KMT2AMCHR1IP6K1 | |
| SCHEMBL16175839 | 0.90 | AKR1B1 (0.36) | AKR1B1CYP46A1 | |
| SCHEMBL16166413 | 0.90 | ADAMTS5 (0.38) | AKR1B1IDO1MEN1KMT2A | |
| SCHEMBL16175842 | 0.90 | AKR1B1 (0.36) | AKR1B1 | |
| SCHEMBL16166394 | 0.88 | HTR7 (0.34) | AKR1B1NT5ECYP2C19HTR7 | |
| SCHEMBL16166793 | 0.88 | AKR1B1 (0.33) | AKR1B1NT5ECYP2C19HTR7 |
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 |