Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 6/20 | 0.68 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.65 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.63 |
| ▸ | CNR2 | P34972 | 3/20 | 0.63 |
| ▸ | CNR1 | P21554 | 2/20 | 0.60 |
| ▸ | PLA2G2A | P14555 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | NQO2 | P16083 | 1/20 | 0.52 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.52 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8649350 | 0.88 | AKR1C2 (0.67) | AKR1C3AKR1C2PTGS2PLA2G2ACYP1A2 | |
| SCHEMBL2074087 | 0.84 | AKR1C3 (0.76) | AKR1C3AKR1C2PTGS2CNR2CNR1 | |
| SCHEMBL24500160 | 0.81 | PTGS2 (0.58) | AKR1C3AKR1C2PTGS2CNR2PLA2G2A | |
| SCHEMBL8300469 | 0.81 | PLA2G2A (0.80) | AKR1C3AKR1C2PTGS2CNR2CNR1 | |
| SCHEMBL28836569 | 0.80 | EGFR (0.70) | AKR1C3CNR2CNR1PLA2G2ATSHR | |
| SCHEMBL18271569 | 0.80 | AKR1C3 (0.64) | AKR1C3AKR1C2PLA2G2ACYP1A2CYP2D6 | |
| SCHEMBL8645997 | 0.79 | PLA2G2A (0.83) | PTGS2PLA2G2ACYP1A2LMNACYP2C9 | |
| SCHEMBL16656482 | 0.79 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2CNR2CNR1 | |
| SCHEMBL18271582 | 0.79 | AKR1C3 (0.56) | AKR1C3AKR1C2PLA2G2ACYP1A2CYP2D6 | |
| SCHEMBL5239507 | 0.79 | ALDH1A1 (0.63) | CYP1A2CYP2D6LMNATSHRNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0746544-B1 | NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS | MERRELL PHARMA INC (US) | 1998-09-09 | — | — | EP | disclosed |
| EP-0746544-A1 | NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS | MERRELL PHARMACEUTICALS INC. (US) | 1996-12-11 | — | — | EP | disclosed |
| WO-1995022524-A1 | NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS | MERRELL PHARMACEUTICALS INC. (US) | 1995-08-24 | — | — | WO | disclosed |