Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.30 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.30 |
| ▸ | LPAR2 | Q9HBW0 | 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 | |
|---|---|---|---|---|
| SCHEMBL28948554 | 0.92 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1CA1CA2 | |
| SCHEMBL8774 | 0.85 | — | — | |
| SCHEMBL27872129 | 0.83 | TSHR (0.40) | ALDH1A1CYP3A4ADRB2ADRB1ADRB3 | |
| SCHEMBL9849839 | 0.83 | TSHR (0.52) | ALDH1A1CYP3A4ADRB2ADRB1ADRB3 | |
| SCHEMBL9614568 | 0.82 | — | — | |
| Hexane SCHEMBL8140309 | 0.82 | CYP3A4 (0.48) | ALDH1A1CYP3A4ADRB2ADRB1ADRB3 | |
| Hexane SCHEMBL95579 | 0.82 | ALDH1A1 (0.57) | ALDH1A1TSHRTDP1SMN1; SMN2LMNA | |
| Methoxymethane SCHEMBL22364221 | 0.82 | — | — | |
| SCHEMBL11574005 | 0.82 | — | — | |
| SCHEMBL28859283 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0371692-B1 | Verfahren zur Herstellung eines Ethers. | EXXON CHEMICAL PATENTS INC (US) | 1996-09-25 | — | — | EP | claimed |
| EP-0371692-A2 | Verfahren zur Herstellung eines Ethers. | EXXON CHEMICAL PATENTS INC. (US) | 1990-06-06 | — | — | EP | claimed |
| WO-1990005710-A2 | MINIMIZING DEACTIVATION OF ETHER SYNTHESIS CATALYST | EXXON CHEMICAL PATENTS INC. (US) | 1990-05-31 | — | — | WO | claimed |