Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.48 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14707162 | 0.87 | MEN1 (0.47) | TSHRCASP1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL78097 | 0.83 | TSHR (0.50) | TSHRCASP1ALDH1A1MAPTCYP3A4 | |
| SCHEMBL564995 | 0.82 | MAOB (0.60) | MAOBALDH1A1MAPTSMN1; SMN2CYP3A4 | |
| SCHEMBL17508249 | 0.82 | MAOB (0.60) | MAOBTSHRCASP1ALDH1A1MAPT | |
| SCHEMBL29256758 | 0.82 | LTA4H (0.59) | MAOBTSHRALDH1A1MAPTMEN1 | |
| SCHEMBL1362217 | 0.82 | MAOB (0.70) | MAOBALDH1A1MAPTSMN1; SMN2CYP3A4 | |
| SCHEMBL6293836 | 0.81 | MAOB (0.58) | MAOBTSHRALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL9806882 | 0.80 | MAOB (0.68) | MAOBALDH1A1MAPTSMN1; SMN2CYP3A4 | |
| SCHEMBL17508257 | 0.80 | CASP1 (0.50) | TSHRCASP1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL30833245 | 0.80 | MAOB (0.67) | MAOBCASP1ALDH1A1MAPTSMN1; SMN2 |
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-2016020112-A1 | OXIDATION DYE PRECURSOR | HENKEL AG & CO. KGAA (DE) | 2016-02-11 | — | — | WO | claimed |
| WO-2016020112-A1 | OXIDATION DYE PRECURSOR | HENKEL AG & CO. KGAA (DE) | 2016-02-11 | — | — | WO | disclosed |
| WO-2016020112-A1 | OXIDATION DYE PRECURSOR | HENKEL AG & CO. KGAA (DE) | 2016-02-11 | — | — | WO | disclosed |