Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | F11 | P03951 | 1/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.46 |
| ▸ | PRKACA | P17612 | 1/20 | 0.46 |
| ▸ | CDK8 | P49336 | 1/20 | 0.46 |
| ▸ | CLK2 | P49760 | 1/20 | 0.46 |
| ▸ | GSK3A | P49840 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | CDK9 | P50750 | 1/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.46 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9025473 | 0.89 | CTSD (0.52) | ALDH1A1KDM4ECYP17A1CYP11B1CYP11B2 | |
| SCHEMBL29123961 | 0.83 | MAOB (0.57) | ALDH1A1KDM4EUSP2F11IMPDH2 | |
| SCHEMBL9215557 | 0.81 | CTSD (0.55) | ALDH1A1KDM4EUSP2CYP17A1CYP11B1 | |
| SCHEMBL5326742 | 0.81 | ALDH1A1 (0.54) | ALDH1A1KDM4EUSP2F11IMPDH2 | |
| SCHEMBL16158576 | 0.79 | ALDH1A1 (0.51) | ALDH1A1KDM4EUSP2F11GSK3B | |
| SCHEMBL11330797 | 0.78 | MAPT (0.61) | ALDH1A1CYP17A1PIK3CA | |
| SCHEMBL25543963 | 0.77 | PIK3CD (0.46) | ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB | |
| SCHEMBL25544693 | 0.77 | PIK3CD (0.46) | ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB | |
| SCHEMBL10878540 | 0.76 | ALDH1A1 (0.49) | ALDH1A1KDM4EUSP2F11IMPDH2 | |
| SCHEMBL29368700 | 0.75 | PDGFRB (0.51) | ALDH1A1KDM4ECYP17A1PIK3CACYP3A4 |
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-1995004052-A1 | METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES | SANOFI (FR) | 1995-02-09 | — | — | WO | disclosed |