Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.35 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.34 |
| ▸ | KDM5A | P29375 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6663757 | 0.80 | DAO (0.41) | HCAR2PIM1PIM3PLK3PIM2 | |
| SCHEMBL29629574 | 0.75 | PIM1 (0.41) | HCAR2PIM1PIM3PLK3PIM2 | |
| SCHEMBL3417583 | 0.74 | POLB (0.50) | CYP2C19KDM5AKDM4CKDM5BKMT2A | |
| SCHEMBL1906407 | 0.70 | LMNA (0.39) | ALDH1A1CYP2C19KDM5AKDM4CKDM5B | |
| SCHEMBL28792402 | 0.69 | CA12 (0.42) | ALDH1A1CYP2C19KMT2ANPC1RAB9A | |
| SCHEMBL3427273 | 0.68 | SMN1; SMN2 (0.40) | ALDH1A1CYP2C19KDM5AKDM4CKDM5B | |
| SCHEMBL1036006 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL11517510 | 0.64 | MMP1 (0.49) | HCAR2DAOALDH1A1CYP2C19PLA2G7 | |
| SCHEMBL8694456 | 0.63 | GRM4 (0.36) | PIM1PIM3PLK3PIM2ALDH1A1 | |
| SCHEMBL6272120 | 0.61 | MAPK1 (0.35) | ALDH1A1KDM5AKDM4CKDM5BKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1441721-A2 | USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES | MERCK PATENT GmbH (DE) | 2004-08-04 | — | — | EP | claimed |
| WO-2003039539-A2 | USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES | MERCK PATENT GMBH (DE) | 2003-05-15 | — | — | WO | claimed |