Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.55 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.55 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.55 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.55 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | RGS12 | O14924 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9736408 | 0.94 | AR (0.48) | ARAKR1C4PTGS1AKR1C3AKR1C2 | |
| SCHEMBL9736259 | 0.89 | AKR1C3 (0.69) | ARAKR1C4PTGS1AKR1C3AKR1C2 | |
| SCHEMBL9737792 | 0.88 | AR (0.57) | ARAKR1C4PTGS1AKR1C3AKR1C2 | |
| SCHEMBL9736004 | 0.85 | PTGES2 (0.56) | AKR1C3AKR1C2LMNACYP1A2CYP3A4 | |
| SCHEMBL9737790 | 0.85 | AR (0.54) | ARAKR1C4PTGS1AKR1C3AKR1C2 | |
| SCHEMBL9736418 | 0.84 | LMNA (0.47) | AKR1C3AKR1C2LMNACYP1A2CYP3A4 | |
| SCHEMBL9736206 | 0.84 | AR (0.53) | ARAKR1C4PTGS1AKR1C3AKR1C2 | |
| SCHEMBL9736403 | 0.82 | CYP1A2 (0.61) | ARAKR1C4PTGS1AKR1C3AKR1C2 | |
| SCHEMBL9735576 | 0.82 | CYP1A2 (0.60) | ARAKR1C4PTGS1AKR1C3AKR1C2 | |
| SCHEMBL9737973 | 0.82 | LMNA (0.50) | ARAKR1C4PTGS1AKR1C3AKR1C2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5081145-A | Contractile prostaglandin antagonists | MERCK FROSST CANADA, INC. (CA) | 1992-01-14 | — | — | US | disclosed |
| EP-0166591-B1 | INDOLE-2-ALKANOIC ACIDS AND THEIR USE AS PROSTAGLANDIN ANTAGONISTS | MERCK FROSST CANADA INC. (CA) | 1989-11-23 | — | — | EP | disclosed |
| EP-0166591-A2 | Indole-2-alkanoic acids and their use as prostaglandin antagonists | MERCK FROSST CANADA INC. (CA) | 1986-01-02 | — | — | EP | disclosed |