Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | FNTA | P49354 | 1/20 | 0.36 |
| ▸ | FNTB | P49356 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL708730 | 0.76 | AKT1 (0.46) | AKT1CES1TSHRMEN1KMT2A | |
| SCHEMBL5818467 | 0.76 | AKT1 (0.46) | AKT1CES1CES2MEN1KMT2A | |
| SCHEMBL8550603 | 0.75 | CES1 (0.48) | AKT1CES1CES2AKR1B1TSHR | |
| SCHEMBL1073587 | 0.73 | CES1 (0.46) | AKT1CES1CES2AKR1B1TSHR | |
| SCHEMBL28859063 | 0.72 | AKT1 (0.39) | AKT1CES1CES2AKR1B1MEN1 | |
| SCHEMBL9292426 | 0.71 | CES1 (0.44) | CES1CES2AKR1B1TSHRMEN1 | |
| SCHEMBL669706 | 0.71 | CES1 (0.56) | AKT1CES1CES2AKR1B1TSHR | |
| SCHEMBL6414155 | 0.71 | CES1 (0.40) | AKT1CES1CES2AKR1B1TSHR | |
| SCHEMBL11034994 | 0.71 | AKT1 (0.42) | AKT1CES1CES2MEN1KMT2A | |
| SCHEMBL163962 | 0.70 | MAOA (0.50) | CES1CES2AKR1B1TSHRMEN1 |
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-5519077-A | PERCHLORATE, TERMINAL EPOXY COMPOUND, ANTIOXIDANT | CIBA-GEIGY CORPORATION (US) | 1996-05-21 | — | — | US | disclosed |