Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | GRM6 | O15303 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GRM8 | O00222 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.33 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.32 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28511613 | 0.78 | SLC6A12 (0.38) | GRM4CYP2C19GRM6ALDH1A1CYP1A2 | |
| SCHEMBL8401130 | 0.77 | GRM4 (0.32) | GRM4CYP2C19GRM6ALDH1A1CYP1A2 | |
| SCHEMBL320791 | 0.75 | F10 (0.33) | GRM4CYP2C19GRM6ALDH1A1CYP1A2 | |
| SCHEMBL5317323 | 0.75 | — | — | |
| SCHEMBL5314714 | 0.75 | — | — | |
| SCHEMBL25330082 | 0.75 | — | — | |
| SCHEMBL459480 | 0.75 | — | — | |
| SCHEMBL19557132 | 0.75 | — | — | |
| SCHEMBL17479965 | 0.75 | — | — | |
| SCHEMBL16055812 | 0.74 | EPHX1 (0.34) | MEN1KMT2AFFAR3KDM4E |
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-3924362-A1 | NOVEL TRITERPENONE DERIVATIVES AS HIV INHIBITORS | Hetero Labs Limited (IN) | 2021-12-22 | — | — | EP | disclosed |
| WO-2020165742-A1 | NOVEL TRITERPENONE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LIMITED (IN) | 2020-08-20 | — | — | WO | disclosed |