Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.52 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.40 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 2/20 | 0.34 |
| ▸ | GABRD | O14764 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.34 |
| ▸ | GABRE | P78334 | 2/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18736130 | 0.88 | LTA4H (0.52) | LTA4HGABRR1BLMCYP1A2ACE2 | |
| SCHEMBL18602591 | 0.80 | GABRR1 (0.54) | LTA4HGABRR1BLMCYP1A2ACE2 | |
| SCHEMBL13337953 | 0.79 | GSR (0.54) | BLMCYP1A2 | |
| SCHEMBL17274213 | 0.79 | GSR (0.54) | BLMCYP1A2 | |
| SCHEMBL20227446 | 0.77 | NOD1 (0.40) | — | |
| SCHEMBL20032178 | 0.77 | NOD1 (0.40) | — | |
| SCHEMBL23551728 | 0.77 | BLM (0.52) | LTA4HGABRR1BLMCYP1A2ACE2 | |
| SCHEMBL19257888 | 0.77 | BLM (0.52) | LTA4HGABRR1BLMCYP1A2ACE2 | |
| SCHEMBL15382672 | 0.76 | GABRR1 (0.48) | LTA4HGABRR1BLMCYP1A2ACE2 | |
| SCHEMBL22921025 | 0.76 | GABRR1 (0.48) | LTA4HGABRR1BLMCYP1A2ACE2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20180121632-A1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | FUJITSU LIMITED (JP) | 2018-05-03 | — | — | US | disclosed |