Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 5/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | CD44 | P16070 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL15427794 | 1.00 | CYP3A4 (0.34) | CYP3A4TSHRMAPK1ACHEBCHE | |
| SCHEMBL15427701 | 0.73 | ACHE (0.32) | ACHEBCHE | |
| SCHEMBL16812211 | 0.71 | CHRNB2 (0.34) | TSHRALDH1A1 | |
| SCHEMBL15428150 | 0.69 | ACHE (0.35) | ACHEBCHE | |
| SCHEMBL2320063 | 0.68 | — | — | |
| SCHEMBL18856853 | 0.67 | ALDH1A1 (0.39) | CYP3A4TSHRMAPK1ALDH1A1TP53 | |
| SCHEMBL26269809 | 0.67 | CYP3A4 (0.33) | CYP3A4TSHRMAPK1CD44 | |
| SCHEMBL15427802 | 0.65 | ACHE (0.38) | ACHEBCHE | |
| SCHEMBL26885191 | 0.63 | TLR8 (0.31) | CYP3A4TSHRMAPK1 | |
| SCHEMBL15615135 | 0.63 | SLC6A4 (0.31) | — |
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-9837622-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2017-12-05 | — | — | US | disclosed |