Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29216394 | 1.00 | OXER1 (0.43) | OXER1CYP11B1CYP11B2NOTUMGAA | |
| SCHEMBL29216392 | 0.81 | NOTUM (0.53) | OXER1CYP11B1CYP11B2NOTUMPARP1 | |
| SCHEMBL30872018 | 0.81 | NOTUM (0.53) | OXER1CYP11B1CYP11B2NOTUMPARP1 | |
| SCHEMBL21055089 | 0.80 | TSHR (0.40) | OXER1NOTUMGAAPARP1KMT2A | |
| SCHEMBL21055656 | 0.74 | ACLY (0.47) | NOTUML3MBTL1 | |
| SCHEMBL30452280 | 0.73 | NOTUM (0.65) | CYP11B1CYP11B2NOTUMGAAKMT2A | |
| SCHEMBL2997057 | 0.73 | NOTUM (0.65) | CYP11B1CYP11B2NOTUMGAAKMT2A | |
| SCHEMBL13139572 | 0.71 | KMT2A (0.39) | NOTUMPARP1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL24130695 | 0.70 | CYP19A1 (0.39) | KMT2AALDH1A1HSD17B10MEN1TSHR | |
| SCHEMBL2873658 | 0.69 | KMT2A (0.56) | PARP1KMT2AALDH1A1HSD17B10MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117794914-A | Pyrimidine-2, 4-diamine derivatives, process for preparing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient | 韩国化学研究院 | 2024-03-29 | — | — | CN | disclosed |