Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL11652753 | 1.00 | CA2 (0.39) | CA2ACHEPABPC1CYP2D6KDM4E | |
| SCHEMBL11648492 | 0.83 | LMNA (0.52) | CA2ACHEPABPC1CYP2D6KDM4E | |
| SCHEMBL11648488 | 0.83 | LMNA (0.52) | CA2ACHEPABPC1CYP2D6KDM4E | |
| Hydrochloric Acid SCHEMBL11644804 | 0.82 | CYP3A4 (0.53) | CA2ACHEPABPC1CYP2D6KDM4E | |
| Hydrochloric Acid SCHEMBL11644802 | 0.82 | CYP3A4 (0.53) | CA2ACHEPABPC1CYP2D6KDM4E | |
| SCHEMBL11592566 | 0.81 | CYP2D6 (0.51) | CA2PABPC1CYP2D6KDM4EALDH1A1 | |
| SCHEMBL11592561 | 0.81 | CYP2D6 (0.51) | CA2PABPC1CYP2D6KDM4EALDH1A1 | |
| SCHEMBL11592569 | 0.81 | CYP2D6 (0.51) | CA2PABPC1CYP2D6KDM4EALDH1A1 | |
| SCHEMBL11591619 | 0.79 | PABPC1 (0.39) | PABPC1CYP2D6KDM4EALDH1A1LMNA | |
| SCHEMBL11591623 | 0.79 | PABPC1 (0.39) | PABPC1CYP2D6KDM4EALDH1A1LMNA |
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-4073942-A | Halo-substituted hydroxybenzyl-amines as secretolytic agents | BOEHRINGER INGELHEIM GMBH (DT) | 1978-02-14 | — | — | US | disclosed |