Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL23628382 | 0.76 | HTR2C (0.33) | GSK3BBACE1 | |
| SCHEMBL9861958 | 0.74 | TSHR (0.33) | GSK3BBACE1 | |
| SCHEMBL16719320 | 0.69 | HSD11B1 (0.34) | — | |
| SCHEMBL6137485 | 0.68 | MEN1 (0.36) | — | |
| SCHEMBL9849476 | 0.56 | TSHR (0.45) | — | |
| O-Xylene SCHEMBL5617302 | 0.55 | CYP3A4 (0.71) | — | |
| SCHEMBL17393757 | 0.53 | ACHE (0.47) | — | |
| SCHEMBL15765758 | 0.53 | PBRM1 (0.47) | GSK3BBACE1 | |
| O-Xylene SCHEMBL17318270 | 0.53 | TSHR (0.91) | — | |
| O-Xylene SCHEMBL11253661 | 0.53 | TSHR (0.91) | — |
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-0909762-B1 | Binuclear Iridium(I) phosphine complexes and their use as catalysts for the asymmetric hydroamination of olefins | LONZA AG (CH) | 2003-04-09 | — | — | EP | claimed |