Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13003657 | 0.85 | POLB (0.50) | POLBGAACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL13166017 | 0.83 | SLC6A4 (0.58) | CYP1A2CYP2D6CYP2C19SLC6A4KMT2A | |
| SCHEMBL20172543 | 0.83 | SLC6A4 (0.58) | CYP1A2CYP2D6CYP2C19SLC6A4KMT2A | |
| SCHEMBL13166015 | 0.83 | SLC6A4 (0.58) | CYP1A2CYP2D6CYP2C19SLC6A4KMT2A | |
| SCHEMBL22455494 | 0.81 | GRIN2D (0.40) | POLBALDH1A1 | |
| SCHEMBL13166039 | 0.81 | NQO1 (0.52) | ACACB | |
| SCHEMBL13166045 | 0.81 | NQO1 (0.52) | ACACB | |
| SCHEMBL28162856 | 0.81 | SLC6A4 (0.36) | ACACBSLC6A4 | |
| SCHEMBL23095167 | 0.79 | LTA4H (0.49) | ACACBALDH1A1LMNA | |
| SCHEMBL7929125 | 0.78 | POLB (0.41) | POLBGAACYP1A2CYP2D6CYP2C19 |
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-9561212-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-02-07 | — | — | US | disclosed |