Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | PNMT | P11086 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL251393 | 0.84 | — | — | |
| SCHEMBL29637350 | 0.84 | — | — | |
| SCHEMBL192991 | 0.84 | — | — | |
| SCHEMBL29418105 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL21359409 | 0.82 | — | — | |
| SCHEMBL1005643 | 0.82 | — | — | |
| Ethylene SCHEMBL28840336 | 0.79 | TSHR (0.50) | TSHRLMNAHSD11B1ALDH1A1CYP2A6 | |
| Hydrazine SCHEMBL28946830 | 0.77 | TSHR (0.47) | TSHRLMNAHSD11B1ALDH1A1CYP2A6 | |
| SCHEMBL28868561 | 0.75 | TSHR (0.45) | TSHRLMNAHSD11B1ALDH1A1CYP2A6 | |
| SCHEMBL109605 | 0.73 | — | — |
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-3526227-A1 | BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES | Merck Patent GmbH (DE) | 2019-08-21 | — | — | EP | disclosed |