Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| SCHEMBL4752223 | 0.78 | NOTUM (0.30) | — | |
| SCHEMBL2428051 | 0.70 | NOTUM (0.33) | — | |
| SCHEMBL27564610 | 0.70 | — | — | |
| Benzene SCHEMBL28178850 | 0.70 | TAAR1 (0.34) | MAPTCYP1A2 | |
| SCHEMBL1120013 | 0.70 | TAAR1 (0.34) | MAPTCYP1A2 | |
| SCHEMBL11909980 | 0.69 | APP (0.39) | APPMAPTCYP1A2 | |
| SCHEMBL28115481 | 0.69 | — | — | |
| SCHEMBL21751183 | 0.69 | — | — | |
| SCHEMBL27908139 | 0.69 | — | — | |
| SCHEMBL2390259 | 0.68 | ALDH1A1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5703378-A | Materials for the scavanging of hydrogen at high temperatures | SANDIA CORPORATION (US) | 1997-12-30 | — | — | US | claimed |
| US-5624598-A | DOUBLE OR TRIPLE BOND HYDROCARBON COMPOUNDS. FOR HYDROGEN SCAVENGERS | SHEPODD TIMOTHY J (US) | 1997-04-29 | — | — | US | claimed |
| US-5703378-A | Materials for the scavanging of hydrogen at high temperatures | SANDIA CORPORATION (US) | 1997-12-30 | — | — | US | disclosed |