Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29028688 | 0.86 | NPC1 (0.46) | ESR2NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL29885607 | 0.82 | ALDH1A1 (0.43) | ESR2NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL28748714 | 0.82 | ALDH1A1 (0.43) | ESR2NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL28967487 | 0.82 | NPC1 (0.46) | ESR2NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL21125353 | 0.78 | TSHR (0.38) | ESR2NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL7848179 | 0.78 | ESR2 (0.55) | ESR2NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL19961707 | 0.77 | NOTUM (0.47) | ESR2NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL14005778 | 0.77 | ADORA3 (0.54) | ESR2NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL2264916 | 0.77 | ESR2 (0.47) | ESR2NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL29885024 | 0.76 | ESR2 (0.47) | ESR2NPC1RAB9ASMN1; SMN2MEN1 |
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-116332851-A | Cyanomethyl phenyl indazole compound and preparation method thereof | 河南中医药大学 | 2023-06-27 | — | — | CN | disclosed |