Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | F2R | P25116 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.32 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27892844 | 0.75 | CHRNA4 (0.44) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL8916525 | 0.72 | — | — | |
| SCHEMBL22361539 | 0.71 | — | — | |
| Benzene SCHEMBL28325923 | 0.71 | CHRNA4 (0.46) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL888662 | 0.71 | CHRNA4 (0.39) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL2625480 | 0.71 | CHRNA4 (0.39) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL28306983 | 0.68 | — | — | |
| SCHEMBL17725298 | 0.67 | ACACB (0.43) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL20570769 | 0.67 | — | — | |
| SCHEMBL16027956 | 0.67 | — | — |
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-3083627-A1 | [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS PROTOZOAN PROTEASOME INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES SUCH AS LEISHMANIASIS | Novartis AG (CH) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015095477-A1 | [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS PROTOZOAN PROTEASOME INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES SUCH AS LEISHMANIASIS | IRM LLC (BM) | 2015-06-25 | — | — | WO | disclosed |