Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 4/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | TACR2 | P21452 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SHBG | P04278 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28822870 | 1.00 | SIGMAR1 (0.51) | SIGMAR1HTR2AESR1ADRA2AADORA3 | |
| SCHEMBL28036381 | 1.00 | SIGMAR1 (0.51) | SIGMAR1HTR2AESR1ADRA2AADORA3 | |
| SCHEMBL28035941 | 1.00 | SIGMAR1 (0.51) | SIGMAR1HTR2AESR1ADRA2AADORA3 | |
| SCHEMBL14288442 | 1.00 | SIGMAR1 (0.51) | SIGMAR1HTR2AESR1ADRA2AADORA3 | |
| SCHEMBL27460165 | 0.98 | SIGMAR1 (0.53) | SIGMAR1HTR2AESR1ADRA2AADORA3 | |
| Phenol SCHEMBL10607559 | 0.96 | SIGMAR1 (0.47) | SIGMAR1HTR2AESR1ADRA2AADORA3 | |
| Phenol SCHEMBL10605839 | 0.96 | SIGMAR1 (0.47) | SIGMAR1HTR2AESR1ADRA2AADORA3 | |
| Phenol SCHEMBL27694034 | 0.95 | SIGMAR1 (0.53) | SIGMAR1HTR2AESR1ADRA2AADORA3 | |
| SCHEMBL20520220 | 0.94 | ESR1 (0.52) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL20520256 | 0.94 | ESR1 (0.52) | ESR1ADRA2AADORA3TACR2SLC6A2 |
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-105102422-A | Method for producing isocyanate | ASAHI KASEI CHEMICALS CORP | 2015-11-25 | — | — | CN | disclosed |