Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 13/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20436331 | 0.79 | MAPT (0.60) | SMN1; SMN2LRRK2MAPTLMNAAGTR1 | |
| SCHEMBL6325239 | 0.79 | MAPT (0.60) | SMN1; SMN2LRRK2MAPTLMNAAGTR1 | |
| SCHEMBL6322987 | 0.79 | TGM2 (0.61) | LRRK2MAPTAGTR1CA1CA2 | |
| SCHEMBL30813240 | 0.79 | LRRK2 (0.60) | LRRK2AGTR1KDRCA1CA2 | |
| SCHEMBL6315587 | 0.79 | TGM2 (0.61) | LRRK2MAPTAGTR1CA1CA2 | |
| SCHEMBL6325243 | 0.79 | MAPT (0.60) | SMN1; SMN2LRRK2MAPTLMNAAGTR1 | |
| SCHEMBL7221133 | 0.76 | TGM2 (0.60) | ALDH1A1CA1CA2 | |
| SCHEMBL6321403 | 0.74 | CAPN9 (0.65) | LRRK2MAPTALDH1A1CA1CA2 | |
| SCHEMBL4373848 | 0.74 | KDR (0.49) | LRRK2KDRIDO1CA1CA2 | |
| SCHEMBL9473018 | 0.74 | CA1 (0.67) | MAPTKDRALDH1A1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6503898-B1 | Administering 4,7-dibenzyl-5,6-dihydroxy-N,N*-di(m-aminobenzyl)--1,3-diazepin-2-one or salt to treat human immunodeficiency virus infection | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-01-07 | — | — | US | disclosed |