Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTK2 | Q05397 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11456751 | 0.85 | BLM (0.38) | PTK2TDP1HRH4CYP1A2CYP2C19 | |
| SCHEMBL11456896 | 0.84 | PTK2 (0.38) | PTK2TDP1TSHRL3MBTL1 | |
| SCHEMBL11446404 | 0.83 | HTR2C (0.39) | TDP1HTR2CCYP2C19HCAR3CYP2D6 | |
| SCHEMBL11446639 | 0.76 | CHRNB2 (0.38) | TDP1HRH4HTR2CGAAL3MBTL1 | |
| SCHEMBL2276155 | 0.76 | MMP2 (0.45) | TDP1HRH4CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL11845573 | 0.74 | HCAR3 (0.48) | PTK2TDP1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL27619934 | 0.74 | PTK2 (0.47) | PTK2TDP1ADRA2ATSHRKCNH2 | |
| SCHEMBL11446382 | 0.73 | L3MBTL1 (0.35) | PTK2TDP1HCAR3L3MBTL1 | |
| SCHEMBL4417417 | 0.72 | PTK2 (0.46) | PTK2TDP1TSHRL3MBTL1 | |
| Hydrochloric Acid SCHEMBL14908614 | 0.70 | PTK2 (0.37) | PTK2TDP1CYP3A4HCAR3GAA |
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-4203988-A | ANTISECRETORY AGENTS | MERCK & CO., INC. (US) | 1980-05-20 | — | — | US | disclosed |