Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9734333 | 0.85 | CES1 (0.46) | CES1CES2L3MBTL1ALDH1A1 | |
| SCHEMBL9733853 | 0.82 | CES1 (0.49) | CES1CES2L3MBTL1ALDH1A1 | |
| SCHEMBL9735264 | 0.73 | CYP3A4 (0.51) | CYP3A4SMN1; SMN2CES1CES2ALOX5 | |
| SCHEMBL27182312 | 0.72 | PKM (0.65) | ALOX5PKML3MBTL1MEN1KMT2A | |
| SCHEMBL27182301 | 0.72 | PKM (0.65) | ALOX5PKML3MBTL1MEN1KMT2A | |
| SCHEMBL5674245 | 0.72 | PKM (0.65) | ALOX5PKML3MBTL1MEN1KMT2A | |
| Myristyl Alcohol SCHEMBL29023767 | 0.72 | GAA (0.49) | CYP3A4SMN1; SMN2ALOX5MEN1KMT2A | |
| SCHEMBL679252 | 0.72 | ESR1 (0.53) | CYP3A4SMN1; SMN2ALOX5MEN1KMT2A | |
| SCHEMBL27182265 | 0.72 | PKM (0.65) | ALOX5PKML3MBTL1MEN1KMT2A | |
| SCHEMBL6682369 | 0.70 | CYP3A4 (0.44) | CYP3A4SMN1; SMN2ALOX5PKMNPC1 |
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-5086128-A | HIGH MOLECULAR WEIGHT ARYLENE SULPHIDE POLYMER MELT MIXED WITH AROMATIC NITRO COMPOUND | BAYER AKTIENGESELLSCHAFT (DE) | 1992-02-04 | — | — | US | disclosed |
| EP-0345550-A2 | High molecular weight arylene sulphide polymers | BAYER AG (DE) | 1989-12-13 | — | — | EP | disclosed |