Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.45 |
| ▸ | ERN1 | O75460 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.40 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.40 |
| ▸ | ABAT | P80404 | 1/20 | 0.40 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5878690 | 0.77 | MAOB (0.52) | BACE1MAOBCAPN1ALDH1A1TDP1 | |
| SCHEMBL29953580 | 0.76 | BACE1 (0.60) | BACE1MAOBCAPN1ERN1ALDH1A1 | |
| SCHEMBL1647101 | 0.76 | BACE1 (0.60) | BACE1MAOBCAPN1ERN1ALDH1A1 | |
| SCHEMBL12656573 | 0.73 | CA1 (0.48) | ERN1ALDH1A1TDP1TSHRCYP1A1 | |
| SCHEMBL21780930 | 0.71 | MAOB (0.50) | MAOBERN1ALDH1A1TDP1MAPT | |
| SCHEMBL30514387 | 0.69 | MAOB (0.70) | MAOBALDH1A1TDP1HPGDTSHR | |
| SCHEMBL119396 | 0.69 | MAOB (0.70) | MAOBALDH1A1TDP1HPGDTSHR | |
| SCHEMBL14242940 | 0.69 | ALDH1A1 (0.45) | ALDH1A1AOX1APPTDP1HPGD | |
| SCHEMBL37462 | 0.68 | ALDH1A1 (0.63) | MAOBCAPN1ERN1ALDH1A1APP | |
| Acetaldehyde SCHEMBL669161 | 0.68 | MAOB (0.80) | BACE1MAOBALDH1A1APPTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3233828-B1 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2020-03-04 | — | — | EP | disclosed |