Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.61 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.51 |
| ▸ | SMO | Q99835 | 4/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.50 |
| ▸ | FNTA | P49354 | 1/20 | 0.49 |
| ▸ | FNTB | P49356 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.48 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4066456 | 0.83 | DRD3 (0.48) | CHRM1BLMACHEDRD3SMO | |
| SCHEMBL4063619 | 0.83 | DRD3 (0.48) | CHRM1BLMACHEDRD3SMO | |
| SCHEMBL13655443 | 0.83 | DRD3 (0.48) | CHRM1BLMACHEDRD3SMO | |
| SCHEMBL14414557 | 0.80 | ACHE (0.57) | BLMACHESMOCYP2D6CYP2C9 | |
| SCHEMBL14414234 | 0.80 | CHRM1 (0.57) | CHRM1BLMACHESMOCYP2D6 | |
| SCHEMBL15036555 | 0.80 | CHRM1 (0.57) | CHRM1BLMACHESMOCYP2D6 | |
| SCHEMBL29748819 | 0.78 | GFER (0.63) | ACHESMOSLC6A7SMN1; SMN2 | |
| SCHEMBL17086794 | 0.78 | HDAC1 (0.53) | DRD3SMO | |
| Hydrochloric Acid SCHEMBL31587034 | 0.78 | MEN1 (0.59) | SMOKMT2ASMN1; SMN2HTTALDH1A1 | |
| SCHEMBL16259102 | 0.77 | ACHE (0.53) | BLMACHESMOCYP2D6CYP2C9 |
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-2013090696-A1 | CD4-MIMETIC INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2013-06-20 | — | — | WO | disclosed |