Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.41 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6711813 | 0.87 | AKT1 (0.46) | TSHRALDH1A1KDM4EAKT1MEN1 | |
| SCHEMBL18260248 | 0.78 | LY96 (0.45) | TSHRALDH1A1KDM4ERAB9AAKT1 | |
| SCHEMBL1438713 | 0.78 | ABL1 (0.49) | KDM4ERAB9AAKT1CDK4CCND1 | |
| SCHEMBL18260247 | 0.78 | LY96 (0.45) | TSHRALDH1A1KDM4ERAB9AAKT1 | |
| SCHEMBL31018722 | 0.78 | NFE2L2 (0.50) | ALDH1A1AKT1APOBEC3AAPOBEC3GCYP1A2 | |
| SCHEMBL24098775 | 0.78 | AKT1 (0.40) | TSHRALDH1A1KDM4EAKT1MEN1 | |
| SCHEMBL29137844 | 0.78 | NFE2L2 (0.50) | ALDH1A1AKT1APOBEC3AAPOBEC3GCYP1A2 | |
| SCHEMBL5539226 | 0.78 | ALDH1A1 (0.42) | TSHRALDH1A1KDM4ERAB9AAPOBEC3A | |
| SCHEMBL5539223 | 0.78 | ALDH1A1 (0.42) | TSHRALDH1A1KDM4ERAB9AAPOBEC3A | |
| SCHEMBL28453539 | 0.78 | NFE2L2 (0.40) | TSHRALDH1A1KDM4EMEN1KMT2A |
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-9994554-B2 | Barbiturate and thiobarbiturate compounds for use in cancer therapy | NUHOPE LLC (US) | 2018-06-12 | — | — | US | disclosed |