Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 13/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.71 |
| ▸ | NPC1 | O15118 | 9/20 | 0.71 |
| ▸ | RAB9A | P51151 | 9/20 | 0.71 |
| ▸ | HPGD | P15428 | 9/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.71 |
| ▸ | TP53 | P04637 | 4/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.69 |
| ▸ | MEN1 | O00255 | 1/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.69 |
| ▸ | MAPT | P10636 | 6/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL19402620 | 0.87 | KDM4E (0.83) | KDM4EALDH1A1NPC1RAB9AHPGD | |
| SCHEMBL19397821 | 0.85 | KDM4E (0.73) | KDM4EALDH1A1NPC1RAB9AHPGD | |
| SCHEMBL6335545 | 0.82 | AOC3 (0.60) | KDM4EALDH1A1NPC1RAB9AHPGD | |
| SCHEMBL4883242 | 0.81 | KDM4E (1.00) | KDM4EALDH1A1NPC1RAB9AHPGD | |
| SCHEMBL20703904 | 0.81 | KDM4E (1.00) | KDM4EALDH1A1NPC1RAB9AHPGD | |
| SCHEMBL4880568 | 0.81 | KDM4E (0.73) | KDM4EALDH1A1NPC1RAB9AHPGD | |
| SCHEMBL14804393 | 0.81 | NPC1 (0.56) | KDM4EALDH1A1NPC1RAB9AHPGD | |
| SCHEMBL22116844 | 0.81 | KDM4E (0.63) | KDM4EALDH1A1NPC1RAB9AHPGD | |
| SCHEMBL1630232 | 0.81 | KDM4E (0.56) | KDM4EALDH1A1NPC1RAB9AHPGD | |
| SCHEMBL2360960 | 0.80 | NPC1 (0.73) | KDM4EALDH1A1NPC1RAB9AHPGD |
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-2005082866-A2 | SUBSTITUTED 1, 2, 4- TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LIMITED (GB) | 2005-09-09 | — | — | WO | disclosed |