Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.30 |
| ▸ | SYK | P43405 | 1/20 | 0.30 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TMEM97 | Q5BJF2 | 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 | |
|---|---|---|---|---|
| SCHEMBL17757672 | 0.94 | PDE7B (0.35) | SIGMAR1CCNT1CDK9 | |
| SCHEMBL17757144 | 0.89 | CCNT1 (0.33) | CCNT1CDK9 | |
| SCHEMBL21982532 | 0.86 | CCNT1 (0.34) | SIGMAR1CCNT1CYP1A2CYP2D6TMEM97 | |
| SCHEMBL17757671 | 0.83 | GRM2 (0.36) | CCNT1CDK9CYP1A2 | |
| SCHEMBL17757147 | 0.81 | CCNT1 (0.35) | CCNT1CDK9TLR7 | |
| SCHEMBL17757659 | 0.81 | CCNT1 (0.40) | CCNT1CDK9CYP2D6 | |
| SCHEMBL17757146 | 0.81 | CHRNA7 (0.35) | CCNT1CDK9 | |
| SCHEMBL17757680 | 0.80 | CCNT1 (0.33) | CCNT1CDK9 | |
| SCHEMBL17757502 | 0.78 | CCNT1 (0.38) | CCNT1CDK9 | |
| SCHEMBL17757138 | 0.78 | OPRM1 (0.36) | — |
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-2016075137-A1 | SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2016-05-19 | — | — | WO | disclosed |