Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | RHEB | Q15382 | 3/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2884021 | 0.80 | KCNH2 (0.48) | DRD1NOS1RHEBMETAP2CYP3A4 | |
| Bromide SCHEMBL4556525 | 0.79 | KCNH2 (0.47) | DRD1NOS1RHEBMETAP2CYP3A4 | |
| SCHEMBL2878972 | 0.77 | NOS1 (0.39) | DRD1NOS1RHEBAXLMETAP2 | |
| SCHEMBL13745163 | 0.69 | NOS1 (0.46) | DRD1NOS1TRPA1AXLMETAP2 | |
| SCHEMBL13045724 | 0.69 | NOS1 (0.36) | DRD1NOS1RHEBMETAP2MAP4K1 | |
| SCHEMBL27287718 | 0.67 | DRD1 (0.39) | DRD1METAP2PRKCQLRRK2IDO1 | |
| SCHEMBL2005907 | 0.67 | NOS1 (0.55) | NOS1TRPA1AXLMETAP2IDO1 | |
| SCHEMBL29474180 | 0.67 | NOS1 (0.55) | NOS1TRPA1AXLMETAP2IDO1 | |
| SCHEMBL31280033 | 0.66 | NOS1 (0.50) | NOS1TRPA1AXLMETAP2IDO1 | |
| SCHEMBL4141136 | 0.66 | BRD4 (0.43) | DRD1NOS1TRPA1AXLMETAP2 |
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-2121638-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008076225-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2008-06-26 | — | — | WO | disclosed |