Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | KDM4A | O75164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18966817 | 0.99 | ALDH1A1 (0.46) | TSHRMAPK1CYP3A4TP53ALDH1A1 | |
| SCHEMBL17337127 | 0.97 | TSHR (0.43) | TSHRMAPK1CYP3A4TP53ALDH1A1 | |
| SCHEMBL17337124 | 0.97 | TSHR (0.43) | TSHRMAPK1CYP3A4TP53ALDH1A1 | |
| SCHEMBL18966850 | 0.96 | TSHR (0.44) | TSHRMAPK1CYP3A4TP53ALDH1A1 | |
| SCHEMBL18966596 | 0.95 | ALDH1A1 (0.46) | TSHRMAPK1CYP3A4TP53ALDH1A1 | |
| SCHEMBL18957092 | 0.93 | TSHR (0.45) | TSHRMAPK1CYP3A4TP53ALDH1A1 | |
| SCHEMBL18957087 | 0.93 | TSHR (0.45) | TSHRMAPK1CYP3A4TP53ALDH1A1 | |
| SCHEMBL17337001 | 0.93 | ALDH1A1 (0.41) | TSHRMAPK1CYP3A4TP53ALDH1A1 | |
| SCHEMBL17337005 | 0.93 | ALDH1A1 (0.41) | TSHRMAPK1CYP3A4TP53ALDH1A1 | |
| SCHEMBL18957134 | 0.92 | ALDH1A1 (0.46) | TSHRMAPK1CYP3A4TP53ALDH1A1 |
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 |