Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 9/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PLA2G4B | P0C869 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | RARA | P10276 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11039794 | 0.82 | TSHR (0.49) | TSHRALDH1A1MAPT | |
| SCHEMBL7019684 | 0.82 | MEN1 (0.32) | MEN1KMT2A | |
| SCHEMBL7019483 | 0.81 | ESR1 (0.41) | TP53ALDH1A1 | |
| SCHEMBL11044405 | 0.81 | ALDH1A1 (0.49) | TSHRALDH1A1MAPT | |
| SCHEMBL11039459 | 0.81 | ALDH1A1 (0.49) | TSHRALDH1A1MAPT | |
| SCHEMBL11041826 | 0.81 | ALDH1A1 (0.56) | TSHRALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL7027855 | 0.80 | SPHK1 (0.38) | — | |
| SCHEMBL10584455 | 0.80 | MMP2 (0.46) | — | |
| SCHEMBL10788245 | 0.79 | IAPP (0.43) | RARBALDH1A1 | |
| SCHEMBL7024676 | 0.78 | STS (0.36) | ALDH1A1MAPT |
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-4514317-A | A BICYCLO(2,2,2,) OCTANE RING AND DICYANO SUBSTITUTED BENZENE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-04-30 | — | — | US | disclosed |