Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7360020 | 0.97 | KIF11 (0.44) | KIF11MAPK1KCNN4ALDH1A1TSHR | |
| SCHEMBL10098811 | 0.80 | CA4 (0.50) | KIF11 | |
| SCHEMBL29990799 | 0.80 | CA4 (0.50) | KIF11 | |
| SCHEMBL297786 | 0.73 | MAPK1 (0.52) | KIF11MAPK1KCNN4ALDH1A1TSHR | |
| SCHEMBL8973 | 0.73 | KIF11 (0.48) | KIF11MAPK1KCNN4ALDH1A1TSHR | |
| SCHEMBL30886777 | 0.73 | CA1 (0.43) | MAPK1ALDH1A1TSHR | |
| Ammonia Solution, Strong SCHEMBL23726528 | 0.71 | KIF11 (0.46) | KIF11MAPK1KCNN4ALDH1A1TSHR | |
| Bromide SCHEMBL28557682 | 0.71 | KIF11 (0.46) | KIF11MAPK1KCNN4ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL28556207 | 0.71 | KIF11 (0.46) | KIF11MAPK1KCNN4ALDH1A1TSHR | |
| Fluoride SCHEMBL27919232 | 0.71 | KIF11 (0.46) | KIF11MAPK1KCNN4ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3351862-A1 | HVAC SYSTEM WITH PREDICTIVE FREE COOLING CONTROL AND FREE COOLING OPTIMIZATION | Johnson Controls Technology Company (US) | 2018-07-25 | — | — | EP | disclosed |