Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11563020 | 0.98 | SIGMAR1 (0.45) | SIGMAR1PTPN1S1PR2S1PR4S1PR1 | |
| Hydrochloric Acid SCHEMBL11265322 | 0.86 | ADRB2 (0.49) | SIGMAR1S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL4670684 | 0.86 | MC4R (0.50) | PTPN1S1PR2S1PR4S1PR1S1PR3 | |
| Bromide SCHEMBL11269859 | 0.84 | SIGMAR1 (0.42) | SIGMAR1PTPN1ADORA3SLC6A2SLC6A4 | |
| SCHEMBL7379754 | 0.83 | ESR1 (0.60) | SIGMAR1S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL2048075 | 0.83 | PTGS2 (0.55) | PTPN1ADORA3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29946510 | 0.83 | PTGS2 (0.55) | PTPN1ADORA3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4065606 | 0.82 | PTGS2 (0.63) | PTPN1ADORA3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2046991 | 0.80 | PTGS2 (0.67) | ADORA3SLC6A2SLC6A4SLC6A3CHRM1 | |
| SCHEMBL2049841 | 0.80 | PTGS2 (0.67) | ADORA3SLC6A2SLC6A4SLC6A3CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4327022-A | Heterocyclic alkyl naphthols | STERLING DRUG INC. (US) | 1982-04-27 | — | — | US | disclosed |
| US-4169108-A | 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols | STERLING DRUG INC. (US) | 1979-09-25 | — | — | US | disclosed |