Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL990038 | 0.81 | TDP1 (0.70) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL11312318 | 0.79 | TDP1 (0.41) | TDP1SIGMAR1TSHRALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL11372580 | 0.79 | TDP1 (0.67) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL8649208 | 0.77 | TDP1 (0.46) | TDP1SIGMAR1TSHRALDH1A1CYP3A4 | |
| SCHEMBL5202027 | 0.76 | TDP1 (0.47) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| Hydrochloric Acid SCHEMBL8619263 | 0.75 | TDP1 (0.45) | TDP1SIGMAR1TSHRALDH1A1CYP3A4 | |
| SCHEMBL11308263 | 0.75 | TDP1 (0.61) | TDP1SIGMAR1TSHRALDH1A1CYP3A4 | |
| SCHEMBL4457363 | 0.75 | TDP1 (0.61) | TDP1SIGMAR1TSHRALDH1A1CYP3A4 | |
| SCHEMBL11322168 | 0.74 | KDM4E (0.49) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL172358 | 0.73 | ALDH1A1 (0.77) | TDP1SIGMAR1TSHRALDH1A1CYP3A4 |
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-2022173999-A1 | GROUP 6 AMIDINATE PADDLEWHEEL COMPOUNDS FOR DEPOSITION OF METAL CONTAINING THIN FILMS | MERCK PATENT GMBH (DE) | 2022-08-18 | — | — | WO | disclosed |