Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | KDM5A | P29375 | 1/20 | 0.30 |
| ▸ | KDM4C | Q9H3R0 | 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 | |
|---|---|---|---|---|
| SCHEMBL15461727 | 0.89 | CYP1A2 (0.38) | MEN1CYP1A2KMT2ASMN1; SMN2TSHR | |
| SCHEMBL18526156 | 0.85 | MEN1 (0.33) | MEN1CYP1A2KMT2ASMN1; SMN2TSHR | |
| SCHEMBL1176617 | 0.80 | ALDH1A1 (0.43) | MEN1CYP1A2KMT2ASMN1; SMN2TSHR | |
| SCHEMBL9721437 | 0.79 | — | — | |
| SCHEMBL16687638 | 0.76 | CYP1A2 (0.44) | MEN1CYP1A2KMT2ASMN1; SMN2TSHR | |
| SCHEMBL5158211 | 0.74 | CA12 (0.35) | MEN1CYP1A2KMT2ASMN1; SMN2TSHR | |
| SCHEMBL11981678 | 0.72 | ALDH1A1 (0.43) | MEN1CYP1A2KMT2ASMN1; SMN2TSHR | |
| SCHEMBL15148194 | 0.72 | MEN1 (0.33) | MEN1CYP1A2KMT2ASMN1; SMN2TSHR | |
| SCHEMBL16837511 | 0.72 | ALOX15 (0.34) | MEN1CYP1A2KMT2ASMN1; SMN2TSHR | |
| SCHEMBL11709883 | 0.71 | KDM5A (0.42) | MEN1KMT2ASMN1; SMN2TSHRKDM5A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018121766-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, COMPOSITION, AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2018-07-05 | — | — | WO | disclosed |