Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.39 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PGK1 | P00558 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1921661 | 0.89 | KCNH2 (0.47) | CYP3A4TSHRKCNH2CYP2C9CYP2C19 | |
| SCHEMBL11231181 | 0.88 | KCNH2 (0.50) | CYP3A4TSHRKCNH2CYP2C9CYP2C19 | |
| SCHEMBL11240545 | 0.88 | KCNH2 (0.50) | CYP3A4TSHRKCNH2CYP2C9CYP2C19 | |
| SCHEMBL11227888 | 0.85 | CYP3A4 (0.47) | CYP3A4TSHRKCNH2CYP2C9CYP2C19 | |
| SCHEMBL1921804 | 0.81 | KCNH2 (0.48) | TSHRKCNH2LMNAGRM5FFAR1 | |
| SCHEMBL11234645 | 0.78 | KCNH2 (0.46) | CYP3A4TSHRKCNH2CYP2C9CYP2C19 | |
| SCHEMBL6371432 | 0.76 | KCNH2 (0.58) | CYP3A4TSHRKCNH2CYP2C9CYP2C19 | |
| SCHEMBL10812341 | 0.72 | KCNH2 (0.50) | CYP3A4TSHRKCNH2CYP2C9CYP2C19 | |
| SCHEMBL6297820 | 0.72 | KDM4E (0.57) | CYP3A4KCNH2CYP2C9CYP2C19KDM4E | |
| SCHEMBL11237484 | 0.70 | KCNH2 (0.48) | CYP3A4TSHRKCNH2CYP2C19LMNA |
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-4264627-A | Ethynylbenzene compounds and derivatives thereof to treat inflammation, pain or fever | WILLIAM H. RORER, INC. (US) | 1981-04-28 | — | — | US | disclosed |