Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.43 |
| ▸ | ESR1 | P03372 | 3/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | TACR2 | P21452 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SHBG | P04278 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL1425067 | 0.78 | TAAR1 (0.52) | CA2SLC6A2ESR1ADRA2AKDM4E | |
| SCHEMBL105717 | 0.78 | ESR1 (0.55) | CA2TRPV1SLC6A2ESR1ADRA2A | |
| SCHEMBL692205 | 0.77 | ESR1 (0.53) | CA2SLC6A2ESR1ADRA2AKDM4E | |
| SCHEMBL11581700 | 0.76 | ESR1 (0.63) | CA2TRPV1SLC6A2ESR1ADRA2A | |
| SCHEMBL4991365 | 0.76 | GRIK1 (0.47) | TRPV1SLC6A2ESR1ADRA2AKDM4E | |
| SCHEMBL8928274 | 0.75 | TAAR1 (0.43) | SLC6A4TAAR1HTR1A | |
| SCHEMBL104946 | 0.75 | ESR1 (0.55) | CA2SLC6A2ESR1ADRA2AKDM4E | |
| SCHEMBL934532 | 0.75 | CA2 (0.59) | CA2TRPV1SLC6A2ESR1ADRA2A | |
| SCHEMBL27665547 | 0.75 | BLM (0.55) | TRPV1SLC6A2ESR1ADRA2AKDM4E | |
| SCHEMBL1586369 | 0.75 | SLC7A5 (0.49) | CA2TRPV1SLC6A2ESR1ADRA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5661185-A | AN ALKOXYPHENYL-ALKYLUREA COMPOUND TREATING SLEEP DISORDER | BRISTOL-MYERS SQUIBB CO. (US) | 1997-08-26 | — | — | US | disclosed |
| US-5541228-A | Melatonergic agents | BRISTOL-MYERS SQUIBB CO. (US) | 1996-07-30 | — | — | US | disclosed |
| EP-0706994-A1 | Melatonergic agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-04-17 | — | — | EP | disclosed |