Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 15/20 | 0.47 |
| ▸ | ESRRG | P62508 | 10/20 | 0.46 |
| ▸ | ESRRB | O95718 | 7/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PLD2 | O14939 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11547993 | 1.00 | ESR1 (0.47) | ESR1ESRRGESRRBESR2KDM4E | |
| SCHEMBL11555582 | 0.96 | ESR1 (0.46) | ESR1ESRRGESRRBESR2KDM4E | |
| SCHEMBL11553244 | 0.93 | ESR1 (0.47) | ESR1ESRRGESRRBESR2KDM4E | |
| SCHEMBL11549961 | 0.92 | CNR1 (0.49) | ESR1ESRRGESRRBESR2BCHE | |
| SCHEMBL11549962 | 0.90 | ESR1 (0.46) | ESR1ESRRGESRRBESR2KDM4E | |
| SCHEMBL11552831 | 0.89 | ESR1 (0.45) | ESR1ESRRGESRRBESR2KDM4E | |
| SCHEMBL11547391 | 0.89 | ABCG2 (0.43) | ESR1ESR2MEN1KMT2A | |
| SCHEMBL11554260 | 0.88 | ESR1 (0.46) | ESR1ESRRGESRRBESR2KDM4E | |
| SCHEMBL11552101 | 0.86 | LMNA (0.41) | ESR1ESR2KDM4EALDH1A1LMNA | |
| SCHEMBL11548238 | 0.83 | ESR1 (0.41) | ESR1ESR2HDAC6BCHEACHE |
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-4133814-A | ANTITUMOR AGENTS | ELI LILLY AND COMPANY (US) | 1979-01-09 | — | — | US | disclosed |