Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.48 |
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | GMNN | O75496 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 4/20 | 0.41 |
| ▸ | PLA2G6 | O60733 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | GBA1 | P04062 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11089559 | 0.80 | CES2 (0.53) | CES1CES2GMNNTP53POLB | |
| SCHEMBL7476997 | 0.76 | — | — | |
| SCHEMBL13965470 | 0.75 | TDP1 (0.41) | CES2GMNNTP53POLBMAPT | |
| SCHEMBL6025408 | 0.75 | THRB (0.53) | CES1CES2GMNNTP53POLB | |
| SCHEMBL11084109 | 0.74 | CES1 (0.59) | CES1CES2GMNNTP53POLB | |
| SCHEMBL10491282 | 0.73 | HSD17B10 (0.63) | CES1CES2GMNNTP53POLB | |
| SCHEMBL6847376 | 0.73 | HSD17B10 (0.63) | CES1CES2GMNNTP53POLB | |
| SCHEMBL21882 | 0.73 | — | — | |
| SCHEMBL980424 | 0.72 | — | — | |
| SCHEMBL2452425 | 0.72 | — | — |
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-4355185-A | BY HYDRAZINOLYSIS OF S-ALKYLISOTHIURONIUM SALTS | AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) | 1982-10-19 | — | — | US | disclosed |