Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.64 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 7/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL517954 | 0.87 | ESR1 (0.68) | ESR1ESR2ALDH1A1NPSR1HTT | |
| Phosphine SCHEMBL15190577 | 0.84 | ESR1 (0.65) | ESR1ESR2ALDH1A1NPSR1HTT | |
| SCHEMBL9772833 | 0.84 | ESR1 (0.65) | ESR1ESR2ALDH1A1NPSR1HTT | |
| SCHEMBL31176947 | 0.84 | ESR1 (0.65) | ESR1ESR2ALDH1A1NPSR1HTT | |
| SCHEMBL22639206 | 0.84 | ESR1 (0.48) | ESR1ESR2ALDH1A1NPSR1HTT | |
| SCHEMBL22639227 | 0.84 | ESR1 (0.48) | ESR1ESR2ALDH1A1NPSR1HTT | |
| SCHEMBL18372152 | 0.82 | ESR1 (0.47) | ESR1ESR2ALDH1A1NPSR1HTT | |
| SCHEMBL17403785 | 0.81 | ESR1 (0.50) | ESR1ESR2ALDH1A1NPSR1HTT | |
| SCHEMBL17452057 | 0.81 | ESR1 (0.45) | ESR1ESR2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL17426603 | 0.81 | ESR1 (0.45) | ESR1ESR2CA2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008005609-A1 | ORGANIC MATERIALS WITH PHOSPHINE SULFIDE MOIETIES HAVING TUNABLE ELECTRIC AND ELECTROLUMINESCENT PROPERTIES | BATTELLE MEMORIAL INSTITUTE (US) | 2008-01-10 | — | — | WO | disclosed |
| US-20070241670-A1 | Organic materials with phosphine sulfide moieties having tunable electric and electroluminescent properties | BATTELLE MEMORIAL INSTITUTE | 2007-10-18 | — | — | US | disclosed |