Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.37 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.37 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.35 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.35 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13461893 | 0.85 | CA1 (0.43) | MRGPRX1CA1CA2CA9EPHX2 | |
| SCHEMBL6278523 | 0.80 | CA1 (0.44) | MRGPRX1CA1CA2CA9MCOLN3 | |
| SCHEMBL10402375 | 0.80 | CYP2C9 (0.46) | MRGPRX1MEP1BCYP2C9CNR2TDP1 | |
| SCHEMBL30184742 | 0.80 | CYP2C9 (0.46) | MRGPRX1MEP1BCYP2C9CNR2TDP1 | |
| SCHEMBL16261194 | 0.80 | MRGPRX1 (0.43) | MRGPRX1MEP1BFFAR4CNR2ALPL | |
| SCHEMBL2495137 | 0.80 | CNR1 (0.41) | CA1CA2CA9FFAR4CNR2 | |
| SCHEMBL6367227 | 0.79 | MCOLN3 (0.55) | MCOLN3MEP1BALPLACHEMEN1 | |
| Hydrochloric Acid SCHEMBL27749584 | 0.79 | ALPL (0.51) | ALPLPPARG | |
| SCHEMBL2535270 | 0.77 | PPARA (0.44) | EPHX2MEP1BCYP2C9TDP1PPARA | |
| SCHEMBL28541185 | 0.77 | CA1 (0.39) | CA1CA2CA9MCOLN3MEP1B |
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-4968819-A | CATALYTIC SELECTIVE ETHERIFICATION | ALKALOIDA VEGYESZETI GYAR (HU) | 1990-11-06 | — | — | US | disclosed |