Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7356748 | 1.00 | CES1 (0.36) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL12829801 | 0.79 | CES1 (0.32) | CES1CES2ALDH1A1TSHR | |
| SCHEMBL9474926 | 0.72 | TSHR (0.37) | CES1CES2ALDH1A1TSHRFAAH | |
| SCHEMBL8511148 | 0.72 | TSHR (0.37) | CES1CES2ALDH1A1TSHRFAAH | |
| SCHEMBL1685573 | 0.70 | TSHR (0.38) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL28363364 | 0.69 | — | — | |
| SCHEMBL184574 | 0.69 | — | — | |
| SCHEMBL8583365 | 0.69 | — | — | |
| SCHEMBL7130944 | 0.69 | — | — | |
| SCHEMBL184575 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0602209-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |
| WO-1994001113-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-01-20 | — | — | WO | disclosed |