Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | EGLN2 | Q96KS0 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CTSC | P53634 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8807136 | 0.85 | NRP1 (0.41) | ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A | |
| SCHEMBL4819307 | 0.83 | ALOX5 (0.42) | ALDH1A1KDM4EGAAMEN1KMT2A | |
| SCHEMBL4822465 | 0.83 | PDE2A (0.40) | ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A | |
| SCHEMBL8805553 | 0.81 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2KDM4EGAAMAPK1 | |
| SCHEMBL7487750 | 0.80 | MAPK1 (0.37) | ALDH1A1SMN1; SMN2KDM4EGAAMEN1 | |
| SCHEMBL7958939 | 0.79 | CDK2 (0.38) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1 | |
| SCHEMBL7490009 | 0.79 | KMT2A (0.38) | ALDH1A1SMN1; SMN2KDM4EGAAMEN1 | |
| SCHEMBL7496989 | 0.79 | KMT2A (0.38) | ALDH1A1SMN1; SMN2KDM4EGAAMEN1 | |
| SCHEMBL4818794 | 0.79 | ADORA3 (0.43) | ALDH1A1MEN1KMT2ACDK2GSK3B | |
| SCHEMBL4816384 | 0.77 | CDK2 (0.35) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5756509-A | FUNGICIDES | SHELL RESEARCH LIMITED (GB) | 1998-05-26 | — | — | US | disclosed |
| EP-0613900-B1 | Triazolopyrimidine derivatives with fungicidal activity | SHELL INT RESEARCH (NL) | 1997-05-14 | — | — | EP | disclosed |
| EP-0613900-A1 | Triazolopyrimidine derivatives with fungicidal activity | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1994-09-07 | — | — | EP | disclosed |