Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | GUSB | P08236 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | MARS1 | P56192 | 1/20 | 0.40 |
| ▸ | ESRRB | O95718 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESRRA | P11474 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23202873 | 1.00 | AHR (0.44) | AHRHSP90AA1HSP90AB1SRD5A2GUSB | |
| SCHEMBL29799170 | 0.82 | LMNA (0.46) | ESRRBESR1ESRRAESR2KDM4E | |
| SCHEMBL2535170 | 0.82 | LMNA (0.46) | ESRRBESR1ESRRAESR2KDM4E | |
| SCHEMBL3499138 | 0.76 | NT5E (0.51) | HSP90AA1HSP90AB1ESRRBESR1ESRRA | |
| SCHEMBL17734598 | 0.73 | LMNA (0.54) | HSP90AB1DHODHESRRBESR1ESRRA | |
| SCHEMBL19618608 | 0.72 | NT5E (0.44) | ESRRBESR1ESRRAESR2KDM4E | |
| SCHEMBL30415489 | 0.71 | POLB (0.50) | ESR1ESR2ALDH1A1KMT2A | |
| SCHEMBL5638415 | 0.71 | POLB (0.50) | ESR1ESR2ALDH1A1KMT2A | |
| SCHEMBL2933108 | 0.70 | AHR (0.67) | AHRSRD5A2MARS1KDM4ESMN1; SMN2 | |
| SCHEMBL10865179 | 0.69 | ESR1 (0.65) | DHODHESRRBESR1ESRRAESR2 |
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-112204010-B | Heterocyclic derivatives and uses thereof | C&C新药研究所 | 2024-03-19 | — | — | CN | disclosed |