Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9733853 | 0.97 | CES1 (0.49) | CES1CA1CA2TDP1GSK3B | |
| SCHEMBL9734209 | 0.85 | CYP3A4 (0.47) | CES1ALDH1A1CES2L3MBTL1 | |
| SCHEMBL9420462 | 0.81 | CES1 (0.55) | CES1CA1CA2TDP1GSK3B | |
| SCHEMBL9420552 | 0.78 | TSHR (0.46) | CES1CA1CA2TDP1GSK3B | |
| SCHEMBL11169102 | 0.76 | TSHR (0.55) | CES1CA1CA2TDP1GSK3B | |
| SCHEMBL9420477 | 0.76 | TSHR (0.44) | CES1CA1CA2TDP1GSK3B | |
| SCHEMBL9420546 | 0.76 | TSHR (0.44) | CES1CA1CA2TDP1GSK3B | |
| SCHEMBL10515527 | 0.73 | TSHR (0.47) | CES1CA1CA2TDP1GSK3B | |
| SCHEMBL1988552 | 0.73 | TSHR (0.49) | CES1CA1CA2TDP1GSK3B | |
| SCHEMBL18725874 | 0.72 | MEN1 (0.59) | CES1CA1CA2TDP1ALDH1A1 |
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-5086128-A | HIGH MOLECULAR WEIGHT ARYLENE SULPHIDE POLYMER MELT MIXED WITH AROMATIC NITRO COMPOUND | BAYER AKTIENGESELLSCHAFT (DE) | 1992-02-04 | — | — | US | disclosed |