Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 10/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.69 |
| ▸ | TSHR | P16473 | 7/20 | 0.69 |
| ▸ | USP2 | O75604 | 7/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.69 |
| ▸ | CD4 | P01730 | 2/20 | 0.57 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL896577 | 0.90 | CYP2D6 (0.64) | CYP2D6CYP3A4TSHRUSP2CYP1A2 | |
| SCHEMBL8036144 | 0.80 | LMNA (0.73) | TSHRCD4SORT1ALDH1A1TP53 | |
| SCHEMBL3970094 | 0.80 | LMNA (0.73) | TSHRCD4SORT1ALDH1A1TP53 | |
| SCHEMBL19991949 | 0.80 | LMNA (0.73) | TSHRCD4SORT1ALDH1A1TP53 | |
| SCHEMBL3974277 | 0.80 | LMNA (0.73) | TSHRCD4SORT1ALDH1A1TP53 | |
| SCHEMBL14892935 | 0.79 | GAA (0.55) | CYP2D6CYP3A4TSHRUSP2CD4 | |
| SCHEMBL13925192 | 0.78 | CD4 (0.81) | TSHRCD4SORT1ALDH1A1TP53 | |
| SCHEMBL13925209 | 0.77 | CD4 (0.80) | TSHRCD4SORT1ALDH1A1TP53 | |
| SCHEMBL9851617 | 0.76 | TSHR (0.60) | CYP2D6CYP3A4TSHRCYP1A2MEN1 | |
| SCHEMBL10914673 | 0.75 | TSHR (0.81) | TSHRCD4SORT1MEN1KMT2A |
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-0417631-A2 | Condensed diazepinones, process for their preparation, and medicaments containing these compounds | Dr. Karl Thomae GmbH (DE) | 1991-03-20 | — | — | EP | disclosed |