Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.31 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.31 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.31 |
| ▸ | GALR2 | O43603 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3293139 | 0.75 | CYP19A1 (0.52) | ALDH1A1CYP19A1LMNATXNRD1TXNRD3 | |
| SCHEMBL7698043 | 0.73 | ALDH1A1 (0.41) | ALDH1A1POLBTSHRMAPTTDP1 | |
| SCHEMBL3293694 | 0.70 | ALDH1A1 (0.35) | ALDH1A1CYP19A1LMNATXNRD1TXNRD3 | |
| SCHEMBL8115324 | 0.68 | TDP1 (0.41) | ALDH1A1LMNAPOLBTSHRMAPT | |
| SCHEMBL28362450 | 0.68 | CASP6 (0.47) | ALDH1A1LMNATSHRTDP1 | |
| SCHEMBL27460076 | 0.65 | ALDH1A1 (0.35) | ALDH1A1LMNAGALR2POLBMAPT | |
| SCHEMBL28455178 | 0.64 | ERN1 (0.38) | ALDH1A1MAPTCYP3A4HTTSMN1; SMN2 | |
| SCHEMBL1426196 | 0.64 | KMT2A (0.38) | ALDH1A1LMNATSHRMAPTTDP1 | |
| SCHEMBL28235521 | 0.63 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL7696656 | 0.62 | ALDH1A1 (0.35) | ALDH1A1POLBTSHRMAPTTDP1 |
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-2676963-B1 | NOVEL COMPOUND, NOVEL LIGAND, NOVEL TRANSITION METAL COMPLEXES, AND CATALYSTS CONSISTING OF NOVEL TRANSITION METAL COMPLEXES | UNIV OKAYAMA NAT UNIV CORP (JP) | 2016-08-24 | — | — | EP | claimed |