Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25B | P30305 | 2/20 | 0.61 |
| ▸ | IDO1 | P14902 | 1/20 | 0.61 |
| ▸ | CDC25A | P30304 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | TP53 | P04637 | 4/20 | 0.48 |
| ▸ | BLM | P54132 | 4/20 | 0.48 |
| ▸ | CASP1 | P29466 | 3/20 | 0.48 |
| ▸ | CASP7 | P55210 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | TDP2 | O95551 | 2/20 | 0.46 |
| ▸ | NSD2 | O96028 | 2/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | HKDC1 | Q2TB90 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29409254 | 0.86 | PTPN1 (0.61) | CDC25BIDO1CDC25AMAPTSMN1; SMN2 | |
| SCHEMBL15855938 | 0.77 | MAPT (0.57) | CDC25BIDO1CDC25AMAPTSMN1; SMN2 | |
| 2-Methoxy-1,4-Naphthoquinone SCHEMBL29401525 | 0.76 | CDC25B (1.00) | CDC25BIDO1CDC25AMAPTSMN1; SMN2 | |
| 2-Methoxy-1,4-Naphthoquinone SCHEMBL571061 | 0.76 | CDC25B (1.00) | CDC25BIDO1CDC25AMAPTSMN1; SMN2 | |
| SCHEMBL16879448 | 0.73 | MAOA (0.52) | CDC25BMAPTSMN1; SMN2CYP3A4TP53 | |
| Caulibugulone A SCHEMBL2555738 | 0.72 | MAPT (0.63) | CDC25BMAPTSMN1; SMN2CYP3A4TP53 | |
| SCHEMBL5809726 | 0.70 | IDO1 (0.62) | CDC25BIDO1CDC25AMAPTCYP3A4 | |
| SCHEMBL9628489 | 0.70 | CDC25A (0.62) | CDC25BIDO1CDC25AMAPTSMN1; SMN2 | |
| SCHEMBL31112247 | 0.70 | MAOA (0.77) | CDC25BMAPTSMN1; SMN2CYP3A4TP53 | |
| SCHEMBL8417659 | 0.70 | MAOA (0.86) | CDC25BIDO1MAPTSMN1; SMN2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4478820-A | Anilino-substituted isoquinoline quinones, pharmaceutical compositions and method of use thereof | ELI LILLY AND COMPANY (US) | 1984-10-23 | — | — | US | disclosed |
| EP-0107364-A2 | 7-Anilinoisoquinoline-5,8-quinones | ELI LILLY AND COMPANY (US) | 1984-05-02 | — | — | EP | disclosed |