Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL15330916 | 0.79 | TSHR (0.38) | TP53 | |
| SCHEMBL11393461 | 0.78 | CYP1A2 (0.33) | CYP1A2KDM4EKMT2A | |
| SCHEMBL11316693 | 0.77 | MME (0.35) | CYP1A2TP53 | |
| SCHEMBL27805602 | 0.77 | CYP1A2 (0.35) | CYP1A2KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL28502794 | 0.75 | CYP1A2 (0.34) | CYP1A2KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL28017105 | 0.75 | CYP1A2 (0.34) | CYP1A2KDM4EKMT2A | |
| SCHEMBL11409433 | 0.75 | OPRM1 (0.42) | CYP1A2KDM4EKMT2AOPRM1 | |
| SCHEMBL3251296 | 0.74 | OPRM1 (0.34) | CYP1A2KDM4EKMT2AOPRM1 | |
| Bromide SCHEMBL345029 | 0.74 | OPRM1 (0.34) | CYP1A2KDM4EKMT2AOPRM1 | |
| Hydrochloric Acid SCHEMBL2202280 | 0.74 | OPRM1 (0.34) | CYP1A2KDM4EKMT2AOPRM1 |
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-4424225-A | ANTIULCER AGENTS | DR. KARL THOMAE GMBH (DE) | 1984-01-03 | — | — | US | disclosed |