Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 6/20 | 0.38 |
| ▸ | RAB9A | P51151 | 6/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1092403 | 0.76 | AHR (0.45) | AHRNPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL27628842 | 0.73 | AHR (0.43) | AHRNPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL13947009 | 0.73 | SMN1; SMN2 (0.53) | AHRNPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL7017606 | 0.72 | SMN1; SMN2 (0.43) | AHRNPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL13863817 | 0.72 | AAK1 (0.47) | AHRNPC1RAB9AGABRG2GABRB3 | |
| SCHEMBL4639604 | 0.69 | RAB9A (0.42) | AHRNPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL4700157 | 0.68 | GRM5 (0.67) | NPC1RAB9ATP53 | |
| SCHEMBL4547022 | 0.67 | RAB9A (0.56) | AHRNPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL29878444 | 0.67 | RAB9A (0.56) | AHRNPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL6188523 | 0.67 | RAB9A (0.55) | NPC1RAB9ASMN1; SMN2TSHRKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116675684-B | Alkynyl-containing condensed ring derivative antagonist, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-11-07 | — | — | CN | disclosed |
| CN-116675684-A | Alkynyl-containing condensed ring derivative antagonist, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-09-01 | — | — | CN | disclosed |