Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL10515527 | 0.85 | TSHR (0.47) | CES1CES2TSHRL3MBTL1ALDH1A1 | |
| SCHEMBL9734261 | 0.81 | TSHR (0.49) | CES1CES2TSHRL3MBTL1ALDH1A1 | |
| SCHEMBL2201163 | 0.74 | ALDH1A1 (0.35) | CYP3A4NPC1MEN1KMT2AALDH1A1 | |
| SCHEMBL9734209 | 0.73 | CYP3A4 (0.47) | CYP3A4SMN1; SMN2CES1CES2PTPN2 | |
| SCHEMBL27182229 | 0.73 | PKM (0.64) | CYP3A4SMN1; SMN2PKML3MBTL1MEN1 | |
| SCHEMBL2202119 | 0.72 | ALDH1A1 (0.38) | SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1 | |
| SCHEMBL1064525 | 0.71 | ADRA2C (0.42) | CYP3A4SMN1; SMN2CES1TSHRL3MBTL1 | |
| SCHEMBL2200690 | 0.70 | RAB9A (0.46) | ALDH1A1 | |
| SCHEMBL6682369 | 0.70 | CYP3A4 (0.44) | CYP3A4SMN1; SMN2NPC1ALOX5PKM | |
| SCHEMBL8379034 | 0.70 | KMT2A (0.52) | SMN1; SMN2CES1CES2NPC1PKM |
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 |