Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CDC25A | P30304 | 1/20 | 0.32 |
| ▸ | CDC25B | P30305 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23837590 | 0.83 | ALDH1A1 (0.39) | TSHRTRPA1ALDH1A1L3MBTL1LMNA | |
| SCHEMBL23837439 | 0.79 | MTNR1A (0.33) | TRPA1ALDH1A1KDM4ENR1D1CDC25B | |
| SCHEMBL23130217 | 0.76 | MTNR1A (0.31) | CYP1A2MAPTALOX15 | |
| SCHEMBL23130304 | 0.74 | MTNR1A (0.34) | — | |
| SCHEMBL23837522 | 0.74 | TSHR (0.40) | TSHRTRPA1ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL23837563 | 0.73 | MTNR1A (0.37) | ALDH1A1KMT2AMEN1LMNA | |
| SCHEMBL23837490 | 0.73 | HTR1A (0.34) | KMT2ACYP1A2MEN1MAPTL3MBTL1 | |
| SCHEMBL23837493 | 0.72 | MTNR1A (0.33) | CYP1A2MAPTALOX15 | |
| SCHEMBL18966989 | 0.71 | MTNR1A (0.31) | CYP1A2MAPTALOX15 | |
| SCHEMBL23837568 | 0.69 | MTNR1A (0.32) | — |
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-3882252-A1 | BETA-LACTAMASE INHIBITORS | Venatorx Pharmaceuticals, Inc. (US) | 2021-09-22 | — | — | EP | disclosed |