Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 2/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8939782 | 0.87 | TYR (0.39) | ESR1PDCD1ESR2CD274TYR | |
| SCHEMBL8939714 | 0.87 | TYR (0.39) | ESR1PDCD1ESR2CD274TYR | |
| SCHEMBL2468067 | 0.87 | TYR (0.39) | ESR1PDCD1ESR2CD274TYR | |
| Tannin Pyrogallol SCHEMBL29187614 | 0.82 | PTGS2 (0.52) | PTGS2CHRNB2CHRNA4ACP3CYP3A4 | |
| SCHEMBL27382841 | 0.82 | PTGS2 (0.58) | PTGS2CHRNB2CHRNA4ESR1PDCD1 | |
| SCHEMBL5464381 | 0.82 | PTGS2 (0.58) | PTGS2CHRNB2CHRNA4ESR1PDCD1 | |
| SCHEMBL10336945 | 0.81 | PTGS2 (0.42) | PTGS2CHRNB2CHRNA4ACP3CYP17A1 | |
| SCHEMBL8643448 | 0.79 | ESR1 (0.55) | ESR1PDCD1ESR2CD274TYR | |
| Water SCHEMBL28094960 | 0.79 | TAAR1 (0.48) | ESR1PDCD1ESR2CD274TYR | |
| SCHEMBL533910 | 0.78 | NISCH (0.42) | PTGS2TYRKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5159074-A | AMINOMETHANEPHOSPHONIC ACID ARYL ESTERS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE | BAYER AKTIENGESELLSCHAFT (DE) | 1992-10-27 | — | — | US | disclosed |