Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13305866 | 0.90 | ALDH1A1 (0.34) | ALDH1A1POLBESR1CHRM1CHRM2 | |
| SCHEMBL13347101 | 0.83 | CHRM2 (0.38) | ALDH1A1POLBCHRM1CHRM2CHRM3 | |
| SCHEMBL25845136 | 0.80 | POLB (0.37) | ALDH1A1POLBKDM4ESMN1; SMN2 | |
| SCHEMBL19296663 | 0.79 | ALDH1A1 (0.34) | ALDH1A1POLBESR1CHRM1CHRM2 | |
| SCHEMBL13347100 | 0.79 | CHRM2 (0.41) | ALDH1A1POLBCHRM1CHRM2CHRM3 | |
| SCHEMBL25845048 | 0.77 | MAPT (0.32) | SMN1; SMN2 | |
| SCHEMBL6481271 | 0.77 | ESR1 (0.39) | ALDH1A1POLBESR1CHRM1KDM4E | |
| SCHEMBL17407165 | 0.76 | — | — | |
| SCHEMBL25845081 | 0.75 | ELANE (0.39) | ALDH1A1ESR1KDM4ESMN1; SMN2 | |
| SCHEMBL25845050 | 0.72 | ESR1 (0.35) | ALDH1A1ESR1CHRM2 |
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-2017025630-A1 | LUBRICATING COMPOSITION COMPRISING AN ASHLESS TBN BOOSTER | CASTROL LIMITED (GB) | 2017-02-16 | — | — | WO | disclosed |