Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 3/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19620501 | 0.85 | MAPT (0.41) | NPSR1RAB9AALDH1A1KDM4ECYP3A4 | |
| SCHEMBL19620502 | 0.85 | LMNA (0.38) | RAB9AALDH1A1KDM4ECYP3A4CYP2C9 | |
| SCHEMBL19620577 | 0.84 | EGFR (0.37) | RAB9AALDH1A1KDM4ECYP3A4CYP2C19 | |
| SCHEMBL19620603 | 0.84 | POLB (0.50) | RAB9AALDH1A1KDM4ECYP3A4CYP2C19 | |
| SCHEMBL19620665 | 0.83 | HCRTR1 (0.38) | NPSR1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL19620562 | 0.83 | HSD11B1 (0.39) | NPSR1RAB9AACHEALDH1A1KDM4E | |
| SCHEMBL19620589 | 0.83 | ADK (0.39) | NPSR1GSK3BKDM4ECYP3A4CYP2C19 | |
| SCHEMBL19620497 | 0.83 | PRNP (0.38) | ALDH1A1CYP3A4CYP2C19MEN1KMT2A | |
| SCHEMBL19620675 | 0.83 | MAPT (0.42) | NPSR1GAARAB9AACHEALDH1A1 | |
| SCHEMBL19620593 | 0.82 | KDM4E (0.36) | RAB9AALDH1A1KDM4ECYP3A4CYP2C19 |
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-2897607-B1 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2017-11-22 | — | — | EP | disclosed |