Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
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) | ALDH1A1L3MBTL1TDP1TSHRCYP3A4 | |
| SCHEMBL18966455 | 0.84 | ALDH1A1 (0.39) | ALDH1A1HPGDGAAKMT2ATSHR | |
| SCHEMBL18966770 | 0.82 | MTNR1A (0.36) | ALDH1A1KMT2AL3MBTL1TDP1TSHR | |
| SCHEMBL18957019 | 0.79 | RAB9A (0.43) | ALDH1A1HPGDHTTNPSR1RAB9A | |
| SCHEMBL18957020 | 0.79 | RAB9A (0.43) | ALDH1A1HPGDHTTNPSR1RAB9A | |
| SCHEMBL23130114 | 0.79 | TSHR (0.37) | ALDH1A1NPSR1RAB9AKMT2AL3MBTL1 | |
| SCHEMBL23837594 | 0.79 | MTNR1A (0.37) | ALDH1A1HTTNPSR1KMT2AL3MBTL1 | |
| SCHEMBL23130164 | 0.76 | PARP1 (0.34) | KMT2AL3MBTL1TDP1MTNR1AMTNR1B | |
| SCHEMBL23130183 | 0.76 | TSHR (0.40) | ALDH1A1L3MBTL1TDP1TSHRCYP3A4 | |
| SCHEMBL23130000 | 0.75 | MAPT (0.34) | ALDH1A1HPGDNPSR1RAB9AKMT2A |
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 |