Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 6/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL20236 | 0.97 | CYP3A4 (0.42) | CYP3A4ADRB2ADRB1ADRB3ALDH1A1 | |
| Water SCHEMBL29138097 | 0.94 | CYP3A4 (0.40) | CYP3A4ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL30218355 | 0.94 | CYP3A4 (0.40) | CYP3A4ADRB2ADRB1ADRB3ALDH1A1 | |
| Pentane SCHEMBL11040979 | 0.94 | CYP3A4 (0.40) | CYP3A4ADRB2ADRB1ADRB3ALDH1A1 | |
| Butane SCHEMBL7118944 | 0.94 | CYP3A4 (0.40) | CYP3A4ADRB2ADRB1ADRB3ALDH1A1 | |
| Hexane SCHEMBL11874448 | 0.94 | CYP3A4 (0.40) | CYP3A4ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL10424280 | 0.94 | CYP3A4 (0.40) | CYP3A4ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL28699955 | 0.94 | CYP3A4 (0.40) | CYP3A4ADRB2ADRB1ADRB3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL29060497 | 0.94 | CYP3A4 (0.40) | CYP3A4ADRB2ADRB1ADRB3ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL4522417 | 0.94 | CYP3A4 (0.40) | CYP3A4ADRB2ADRB1ADRB3ALDH1A1 |
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-6383971-B1 | RARE EARTH METAL COMPOUNDS, CYCLOPENTADIENE AND ALUMOXANE | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-07 | — | — | US | disclosed |