Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | P2RY14 | Q15391 | 6/20 | 0.39 |
| ▸ | DRD5 | P21918 | 4/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 4/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.39 |
| ▸ | DRD1 | P21728 | 3/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | INSR | P06213 | 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 | |
|---|---|---|---|---|
| SCHEMBL28606430 | 1.00 | HTR2C (0.44) | HTR2CNOTUMP2RY14DRD5TMEM97 | |
| SCHEMBL28532302 | 0.88 | HTR2C (0.42) | HTR2CNOTUMP2RY14DRD5TMEM97 | |
| SCHEMBL28539670 | 0.88 | HTR2C (0.42) | HTR2CNOTUMP2RY14DRD5TMEM97 | |
| SCHEMBL31599304 | 0.83 | TACR1 (0.48) | HTR2CP2RY14GPR119 | |
| SCHEMBL28909376 | 0.83 | TACR1 (0.48) | HTR2CP2RY14GPR119 | |
| SCHEMBL23632114 | 0.83 | TACR1 (0.48) | HTR2CP2RY14GPR119 | |
| SCHEMBL28619733 | 0.83 | HTR2C (0.36) | HTR2CNOTUMPROKR1CHRM2CHRM5 | |
| SCHEMBL23631994 | 0.83 | HTR2C (0.36) | HTR2CNOTUMPROKR1CHRM2CHRM5 | |
| SCHEMBL28593348 | 0.80 | BRD4 (0.43) | BRD4BRD2 | |
| SCHEMBL28593263 | 0.80 | TEAD1 (0.46) | ADRB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113072542-B | ROR gamma t inhibitor and preparation method and application thereof | 广东东阳光药业股份有限公司 | 2024-04-05 | — | — | CN | disclosed |
| WO-2021139595-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 东莞市东阳光新药研发有限公司 | 2021-07-15 | — | — | WO | disclosed |
| CN-113072546-A | Five-membered heteroaromatic derivative and preparation method and application thereof | 广东东阳光药业有限公司 | 2021-07-06 | — | — | CN | disclosed |
| CN-113072542-A | ROR gamma t inhibitor and preparation method and application thereof | 广东东阳光药业有限公司 | 2021-07-06 | — | — | CN | disclosed |