Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 10/20 | 1.00 |
| ▸ | AKR1C2 | P52895 | 8/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.89 |
| ▸ | LMNA | P02545 | 2/20 | 0.89 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.89 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.89 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.89 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.89 |
| ▸ | TSHR | P16473 | 1/20 | 0.89 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.89 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.87 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.87 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.87 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.87 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.87 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.87 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.87 |
| ▸ | MEN1 | O00255 | 1/20 | 0.87 |
| ▸ | PTGES | O14684 | 1/20 | 0.87 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.87 |
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 | |
|---|---|---|---|---|
| SCHEMBL2600801 | 0.95 | AKR1C3 (1.00) | AKR1C3AKR1C2HIF1ALMNACYP1A2 | |
| SCHEMBL12747878 | 0.94 | AKR1C3 (0.89) | AKR1C3AKR1C2HIF1ALMNACYP1A2 | |
| SCHEMBL1082631 | 0.94 | HIF1A (1.00) | AKR1C3AKR1C2HIF1ALMNACYP1A2 | |
| SCHEMBL29798087 | 0.93 | AKR1C3 (0.87) | AKR1C3AKR1C2HIF1ALMNACYP1A2 | |
| Indomethacin SCHEMBL3518614 | 0.93 | PTGS2 (1.00) | AKR1C3AKR1C2HIF1ALMNACYP1A2 | |
| SCHEMBL11471705 | 0.93 | AKR1C3 (0.87) | AKR1C3AKR1C2HIF1ALMNACYP1A2 | |
| SCHEMBL5796934 | 0.93 | AKR1C3 (1.00) | AKR1C3AKR1C2HIF1ALMNACYP1A2 | |
| Iodoindomethacin SCHEMBL13290295 | 0.93 | AKR1C3 (0.87) | AKR1C3AKR1C2HIF1ALMNACYP1A2 | |
| Indomethacin SCHEMBL9300 | 0.93 | PTGS2 (1.00) | AKR1C3AKR1C2HIF1ALMNACYP1A2 | |
| Indomethacin SCHEMBL29525957 | 0.93 | PTGS2 (1.00) | AKR1C3AKR1C2HIF1ALMNACYP1A2 |
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 |