Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL27088347 | 1.00 | PGR (0.44) | PGRCYP19A1IDO1XDHHSPB1 | |
| SCHEMBL27919947 | 0.89 | CYP19A1 (0.52) | CYP19A1IDO1XDHNPC1RAB9A | |
| SCHEMBL29979970 | 0.82 | CYP19A1 (0.40) | CYP19A1IDO1XDHNPC1RAB9A | |
| SCHEMBL27088378 | 0.82 | CYP19A1 (0.40) | CYP19A1IDO1XDHNPC1RAB9A | |
| SCHEMBL29889806 | 0.80 | NOTUM (0.35) | — | |
| SCHEMBL4585369 | 0.77 | IDO1 (0.56) | IDO1NPC1RAB9AMAPTLMNA | |
| SCHEMBL4006032 | 0.76 | XDH (0.51) | XDHNPC1RAB9AMAPTMEN1 | |
| SCHEMBL29979895 | 0.72 | MAP4K4 (0.41) | — | |
| SCHEMBL29899268 | 0.72 | BRD4 (0.37) | PGR | |
| SCHEMBL27088362 | 0.72 | MAP4K4 (0.41) | — |
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-117355512-A | Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment or amelioration of cancer | 托雷莫治疗股份公司 | 2024-01-05 | — | — | CN | disclosed |