Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1171910 | 0.89 | GAA (0.46) | CYP19A1PKMMAPK1HSD17B10GAA | |
| SCHEMBL17847707 | 0.89 | GAA (0.46) | CYP19A1PKMMAPK1HSD17B10GAA | |
| Ethane SCHEMBL5391797 | 0.87 | CYP19A1 (0.45) | CYP19A1PKMMAPK1HSD17B10GAA | |
| SCHEMBL2267201 | 0.79 | CYP19A1 (0.50) | CYP19A1PKMMAPK1HSD17B10GAA | |
| SCHEMBL28084438 | 0.78 | MGAM (0.43) | CYP19A1PKMMAPK1HSD17B10GAA | |
| SCHEMBL18154853 | 0.77 | ALOX15 (0.47) | CYP19A1PKMMAPK1HSD17B10GAA | |
| SCHEMBL31549418 | 0.76 | BLM (0.46) | CYP19A1PKMMAPK1HSD17B10GAA | |
| SCHEMBL27672895 | 0.76 | MGAM (0.47) | CYP19A1PKMMAPK1HSD17B10GAA | |
| SCHEMBL27705935 | 0.76 | BLM (0.46) | CYP19A1PKMMAPK1HSD17B10GAA | |
| SCHEMBL13738977 | 0.76 | GAA (0.44) | CYP19A1PKMMAPK1HSD17B10GAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106866548-B | 6- ring methylpyrimidine ketone hiv reverse transcriptase inhibitor, preparation method and use | 云南大学 | 2019-08-27 | — | — | CN | claimed |
| CN-106866548-A | 6 rings methylpyrimidine ketone hiv reverse transcriptase inhibitor, Preparation Method And The Use | 云南大学 | 2017-06-20 | — | — | CN | claimed |
| CN-106866548-B | 6- ring methylpyrimidine ketone hiv reverse transcriptase inhibitor, preparation method and use | 云南大学 | 2019-08-27 | — | — | CN | disclosed |
| CN-106866548-A | 6 rings methylpyrimidine ketone hiv reverse transcriptase inhibitor, Preparation Method And The Use | 云南大学 | 2017-06-20 | — | — | CN | disclosed |