Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL11775737 | 0.82 | ACHE (0.48) | CA2POLBTDP1ACHECA1 | |
| SCHEMBL5857102 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CA2SMN1; SMN2POLBTYR | |
| SCHEMBL24344597 | 0.81 | CYP1A2 (0.38) | ALDH1A1CA2TSHRTDP1PTGS2 | |
| SCHEMBL13452000 | 0.81 | RARG (0.37) | ALDH1A1TSHRTDP1PTGS2CYP3A4 | |
| SCHEMBL13993209 | 0.78 | ALDH1A1 (0.38) | ALDH1A1CA2POLBTSHRTDP1 | |
| SCHEMBL14410320 | 0.77 | ALDH1A1 (0.36) | ALDH1A1TSHRTDP1PTGS2ADRA2A | |
| SCHEMBL7794794 | 0.77 | SMN1; SMN2 (0.39) | ALDH1A1CA2SMN1; SMN2POLBTYR | |
| SCHEMBL14594236 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CA2SMN1; SMN2POLBTYR | |
| SCHEMBL31588907 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CA2SMN1; SMN2POLBTYR | |
| SCHEMBL5083890 | 0.76 | SMN1; SMN2 (0.34) | ALDH1A1CA2SMN1; SMN2POLBTYR |
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-2935185-B1 | (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM 6,10,14-TRIMETYLPENTADECA-5,9,13-TRIEN-2-ONE OR 6,10,14-TRIMETYLPENTADECA-5,9-DIEN-2-ONE | DSM IP ASSETS BV (NL) | 2019-02-20 | — | — | EP | disclosed |