Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23129889 | 0.87 | ALDH1A1 (0.43) | ALDH1A1CYP3A4MTNR1AMTNR1BCYP1A2 | |
| SCHEMBL18966457 | 0.84 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CA2MTNR1AMTNR1B | |
| SCHEMBL18966770 | 0.82 | MTNR1A (0.36) | ALDH1A1CYP3A4CA2MTNR1AMTNR1B | |
| SCHEMBL23130111 | 0.80 | ALDH1A1 (0.41) | ALDH1A1MTNR1AMTNR1BMAPTTSHR | |
| SCHEMBL18957141 | 0.79 | ALDH1A1 (0.38) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| SCHEMBL18957140 | 0.79 | ALDH1A1 (0.38) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| SCHEMBL23130114 | 0.79 | TSHR (0.37) | ALDH1A1MTNR1AMTNR1BMAPTLMNA | |
| SCHEMBL23837594 | 0.79 | MTNR1A (0.37) | ALDH1A1MTNR1AMTNR1BCYP1A2ALOX15 | |
| SCHEMBL23129737 | 0.77 | — | — | |
| SCHEMBL23837449 | 0.75 | MTNR1A (0.35) | MTNR1AMTNR1BCYP1A2ALOX15MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017100537-A1 | BETA-LACTAMASE INHIBITORS | VenatoRx Pharmaceuticals, Inc. (US) | 2017-06-15 | — | — | WO | disclosed |