Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SKP2 | Q13309 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | S100B | P04271 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.38 |
| ▸ | IGF1R | P08069 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17471733 | 0.94 | SKP2 (0.68) | SKP2CYP3A4ALDH1A1TDP1TSHR | |
| SCHEMBL3775339 | 0.88 | SKP2 (0.63) | SKP2CYP3A4ALDH1A1TDP1TSHR | |
| SCHEMBL3514830 | 0.88 | SKP2 (0.81) | SKP2CYP3A4ALDH1A1TDP1TSHR | |
| SCHEMBL28125839 | 0.86 | SKP2 (0.78) | SKP2CYP3A4ALDH1A1TDP1TSHR | |
| SCHEMBL17471726 | 0.85 | SKP2 (0.50) | SKP2CYP3A4ALDH1A1TDP1SLC6A2 | |
| SCHEMBL31634603 | 0.83 | SKP2 (0.73) | SKP2CYP3A4ALDH1A1TDP1TSHR | |
| SCHEMBL841783 | 0.83 | SKP2 (0.73) | SKP2CYP3A4ALDH1A1TDP1TSHR | |
| SCHEMBL3192065 | 0.82 | SKP2 (0.47) | SKP2CYP3A4ALDH1A1CA2CYP4A11 | |
| SCHEMBL4638583 | 0.82 | SKP2 (1.00) | SKP2CYP3A4ALDH1A1TDP1TSHR | |
| SCHEMBL23093003 | 0.82 | SKP2 (0.72) | SKP2CYP3A4ALDH1A1TDP1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021050547-A1 | MITOCHONDRIAL COMPLEX I INHIBITORS AND METHODS OF USE | Sanford Burnham Prebys Medical Discovery Institute (US) | 2021-03-18 | — | — | WO | claimed |
| WO-2021050547-A1 | MITOCHONDRIAL COMPLEX I INHIBITORS AND METHODS OF USE | Sanford Burnham Prebys Medical Discovery Institute (US) | 2021-03-18 | — | — | WO | disclosed |
| WO-2021050547-A1 | MITOCHONDRIAL COMPLEX I INHIBITORS AND METHODS OF USE | Sanford Burnham Prebys Medical Discovery Institute (US) | 2021-03-18 | — | — | WO | disclosed |