Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 1/20 | 0.68 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.68 |
| ▸ | NPC1 | O15118 | 7/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | AGPAT2 | O15120 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CDK9 | P50750 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Irsogladine SCHEMBL29517870 | 0.81 | HTR2B (1.00) | HTR2BPDE4DNPC1RAB9AHSP90AA1 | |
| Irsogladine SCHEMBL62215 | 0.81 | HTR2B (1.00) | HTR2BPDE4DNPC1RAB9AHSP90AA1 | |
| SCHEMBL9566542 | 0.81 | HTR2B (0.72) | HTR2BPDE4DNPC1RAB9AHSP90AA1 | |
| SCHEMBL9566593 | 0.78 | HTR2B (0.68) | HTR2BPDE4DNPC1RAB9AHSP90AA1 | |
| SCHEMBL9566466 | 0.78 | HTR2B (0.68) | HTR2BPDE4DNPC1RAB9AHSP90AA1 | |
| SCHEMBL9566522 | 0.78 | HTR2B (0.68) | HTR2BPDE4DNPC1RAB9AHSP90AA1 | |
| SCHEMBL11612298 | 0.74 | HTR2B (0.62) | HTR2BPDE4DNPC1RAB9AHSP90AA1 | |
| SCHEMBL6049638 | 0.74 | DHFR (0.47) | HTR2BPDE4DHSP90AA1SMN1; SMN2HSP90AB1 | |
| SCHEMBL8412370 | 0.73 | HTR2B (0.83) | HTR2BPDE4DNPC1RAB9AHSP90AA1 | |
| SCHEMBL29808150 | 0.72 | HSP90AA1 (0.69) | HTR2BPDE4DNPC1RAB9AHSP90AA1 |
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-0563386-A1 | ANTICANCER COMPOSITION AND COMPOUND | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1993-10-06 | — | — | EP | disclosed |