Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | MMP2 | P08253 | 2/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | COMT | P21964 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
| ▸ | METAP2 | P50579 | 1/20 | 0.55 |
| ▸ | METAP1 | P53582 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | GMNN | O75496 | 1/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MMP9 | P14780 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL1154872 | 1.00 | TSHR (0.55) | TSHRMMP2CHRM1COMTADRA1A | |
| SCHEMBL1360579 | 0.98 | TSHR (0.53) | TSHRMMP2CHRM1COMTADRA1A | |
| Hydrochloric Acid SCHEMBL27297244 | 0.98 | TSHR (0.53) | TSHRMMP2CHRM1COMTADRA1A | |
| SCHEMBL11497495 | 0.84 | HDAC6 (0.52) | TSHRMMP2CHRM1COMTADRA1A | |
| SCHEMBL30203803 | 0.84 | HDAC6 (0.52) | TSHRMMP2CHRM1COMTADRA1A | |
| SCHEMBL7424652 | 0.79 | KDM4E (0.54) | TSHRMMP2CHRM1COMTADRA1A | |
| SCHEMBL31261655 | 0.79 | KDM4E (0.54) | TSHRMMP2CHRM1COMTADRA1A | |
| SCHEMBL7372603 | 0.79 | PSMD14 (0.55) | TSHRMMP2CHRM1COMTADRA1A | |
| SCHEMBL7344355 | 0.79 | KDM4E (0.54) | TSHRMMP2CHRM1COMTADRA1A | |
| SCHEMBL19303228 | 0.79 | KDM4E (0.54) | TSHRMMP2CHRM1COMTADRA1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |