Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.43 |
| ▸ | HPGD | P15428 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | AURKA | O14965 | 2/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10977375 | 0.81 | AURKA (0.55) | ALDH1A1KDM4EHPGDAURKAMAPT | |
| SCHEMBL29785489 | 0.81 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDSMN1; SMN2AURKA | |
| SCHEMBL1497998 | 0.80 | ALDH1A1 (0.76) | ALDH1A1KDM4EHPGDAURKAABCB1 | |
| SCHEMBL9299773 | 0.80 | ALDH1A1 (0.60) | ALDH1A1KDM4EHPGDAURKAABCB1 | |
| SCHEMBL10976698 | 0.79 | ALDH1A1 (0.62) | ALDH1A1KDM4EHPGDAURKACYP3A4 | |
| SCHEMBL11122384 | 0.78 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDSMN1; SMN2AURKA | |
| SCHEMBL11030558 | 0.78 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDAURKAABCB1 | |
| SCHEMBL9324805 | 0.76 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDAURKACYP3A4 | |
| SCHEMBL9324539 | 0.76 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDAURKACYP3A4 | |
| SCHEMBL20528629 | 0.74 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDSMN1; SMN2AURKA |
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 |
|---|---|---|---|---|---|---|---|
| US-4515716-A | COLORFAST ORANGE TO BLUE SHADES | MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) | 1985-05-07 | — | — | US | disclosed |