Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| SCHEMBL7766890 | 0.98 | TLR4 (0.41) | TLR4SHBGCA1CA2CA4 | |
| SCHEMBL7766897 | 0.98 | TLR4 (0.41) | TLR4SHBGCA1CA2CA4 | |
| SCHEMBL3247418 | 0.98 | TLR4 (0.41) | TLR4SHBGCA1CA2CA4 | |
| SCHEMBL7766892 | 0.98 | TLR4 (0.41) | TLR4SHBGCA1CA2CA4 | |
| SCHEMBL2784623 | 0.98 | TLR4 (0.41) | TLR4SHBGCA1CA2CA4 | |
| SCHEMBL7766887 | 0.98 | TLR4 (0.41) | TLR4SHBGCA1CA2CA4 | |
| SCHEMBL9648985 | 0.98 | TLR4 (0.41) | TLR4SHBGCA1CA2CA4 | |
| SCHEMBL2784619 | 0.98 | TLR4 (0.41) | TLR4SHBGCA1CA2CA4 | |
| SCHEMBL10680155 | 0.93 | SHBG (0.41) | TLR4SHBGCA1CA2CA4 | |
| SCHEMBL10680152 | 0.93 | SHBG (0.41) | TLR4SHBGCA1CA2CA4 |
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-4719032-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-01-12 | — | — | US | disclosed |