Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.69 |
| ▸ | NPC1 | O15118 | 2/20 | 0.69 |
| ▸ | RAB9A | P51151 | 1/20 | 0.69 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 8/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NEK2 | P51955 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17207668 | 0.86 | CYP11B2 (0.61) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL3451175 | 0.82 | HPGD (0.56) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL18508434 | 0.82 | ALDH1A1 (1.00) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL20402779 | 0.79 | ALDH1A1 (0.73) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL3451637 | 0.76 | HPGD (0.50) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL17207584 | 0.72 | CYP11B2 (0.58) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL17207694 | 0.72 | CYP11B2 (0.63) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL17207569 | 0.71 | CYP11B2 (0.66) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL3451507 | 0.70 | ADORA1 (0.60) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL3452078 | 0.70 | HPGD (0.47) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 |
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-2560963-B1 | PYRAZINE DERIVATIVES AS INHIBITORS OF THE ENZYME SCD-1 FOR THE TREATMENT OF CANCER DISEASES AND DIABETES | PF MEDICAMENT (FR) | 2016-10-05 | — | — | EP | disclosed |