Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.52 |
| ▸ | TACR2 | P21452 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | SHBG | P04278 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | TST | Q16762 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL12632553 | 0.98 | ESR1 (0.55) | ESR1ESR2SLC6A2ADRA2AADORA3 | |
| SCHEMBL983684 | 0.96 | ESR1 (0.55) | ESR1ESR2SLC6A2ADRA2AADORA3 | |
| SCHEMBL29233151 | 0.95 | ESR1 (0.56) | ESR1ESR2SLC6A2ADRA2AADORA3 | |
| SCHEMBL984627 | 0.95 | ESR1 (0.58) | ESR1ESR2SLC6A2ADRA2AADORA3 | |
| SCHEMBL985173 | 0.95 | ESR1 (0.58) | ESR1ESR2SLC6A2ADRA2AADORA3 | |
| SCHEMBL983353 | 0.95 | ESR1 (0.58) | ESR1ESR2SLC6A2ADRA2AADORA3 | |
| SCHEMBL983856 | 0.95 | ESR1 (0.58) | ESR1ESR2SLC6A2ADRA2AADORA3 | |
| SCHEMBL982671 | 0.95 | ESR1 (0.58) | ESR1ESR2SLC6A2ADRA2AADORA3 | |
| SCHEMBL17082269 | 0.95 | ESR1 (0.53) | ESR1ESR2SLC6A2ADRA2AADORA3 | |
| SCHEMBL27791868 | 0.95 | ESR1 (0.58) | ESR1ESR2SLC6A2ADRA2AADORA3 |
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-118215651-A | Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition | 旭化成株式会社 | 2024-06-18 | — | — | CN | disclosed |