Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.44 |
| ▸ | HSD17B3 | P37058 | 6/20 | 0.41 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | TACR2 | P21452 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16769060 | 0.75 | ESR1 (0.58) | ESR1ESR2HSD17B3NR5A1ADRA2A | |
| SCHEMBL8046447 | 0.73 | HSD17B3 (0.49) | ESR1ESR2HSD17B3NR5A1ADRA2A | |
| SCHEMBL8035013 | 0.73 | HSD17B3 (0.49) | ESR1ESR2HSD17B3NR5A1ALDH1A1 | |
| SCHEMBL7005898 | 0.72 | ESR1 (0.47) | ESR1ESR2HSD17B3ADRA2AADORA3 | |
| SCHEMBL10495921 | 0.72 | ESR1 (0.43) | ESR1ESR2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5029048 | 0.72 | ESR1 (0.58) | ESR1ESR2HSD17B3NR5A1ADRA2A | |
| SCHEMBL10890723 | 0.72 | CNR2 (0.58) | ESR1ESR2SHBG | |
| SCHEMBL20500878 | 0.72 | CNR2 (0.58) | ESR1ESR2SHBG | |
| SCHEMBL10752311 | 0.72 | ESR1 (0.58) | ESR1ESR2HSD17B3NR5A1ADRA2A | |
| SCHEMBL3445177 | 0.72 | CNR2 (0.58) | ESR1ESR2SHBG |
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-117295784-A | Polybutylene terephthalate composition and article | 巴斯夫欧洲公司 | 2023-12-26 | — | — | CN | disclosed |