Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP7 | P09237 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2722703 | 0.80 | ALDH1A1 (0.60) | SMN1; SMN2RAB9ANPC1IDO1ALDH1A1 | |
| SCHEMBL1453959 | 0.79 | ALDH1A1 (0.50) | SMN1; SMN2LMNAIDO1ALDH1A1CYP3A4 | |
| SCHEMBL11345753 | 0.77 | ALDH1A1 (0.42) | SMN1; SMN2LMNAIDO1ALDH1A1CYP3A4 | |
| SCHEMBL218597 | 0.77 | ALDH1A1 (0.62) | SMN1; SMN2LMNAALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL11442419 | 0.75 | ALDH1A1 (0.58) | SMN1; SMN2IDO1EPHX1ALDH1A1CYP3A4 | |
| SCHEMBL9359370 | 0.75 | TDP1 (0.54) | SMN1; SMN2RAB9ANPC1LMNAALDH1A1 | |
| SCHEMBL2504370 | 0.75 | ALDH1A1 (0.36) | SMN1; SMN2RAB9ANPC1IDO1ALDH1A1 | |
| SCHEMBL1123435 | 0.75 | ADH1B (0.42) | SMN1; SMN2IDO1EPHX1ALDH1A1CYP3A4 | |
| SCHEMBL21799891 | 0.74 | GAA (0.41) | SMN1; SMN2LMNAIDO1ALDH1A1CYP3A4 | |
| SCHEMBL27403528 | 0.74 | ADRB2 (0.43) | ALDH1A1CYP3A4HSD17B10CYP1A2CYP2C19 |
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-3489390-A1 | ELECTROCHEMICAL METHOD FOR O-C COUPLING OF UNPROTECTED PHENOLS WITH OPTICALLY PURE ARYLAMINES | Evonik Degussa GmbH (DE) | 2019-05-29 | — | — | EP | disclosed |