Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8658793 | 1.00 | ESR1 (0.32) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL6933707 | 0.86 | CA12 (0.35) | — | |
| SCHEMBL8081657 | 0.86 | CA12 (0.35) | — | |
| SCHEMBL8107467 | 0.81 | CA12 (0.36) | — | |
| SCHEMBL8107463 | 0.81 | CA12 (0.36) | — | |
| SCHEMBL8081640 | 0.80 | KMT2A (0.39) | — | |
| SCHEMBL8082375 | 0.77 | ESR1 (0.42) | ESR1 | |
| SCHEMBL8979680 | 0.77 | ESR1 (0.42) | ESR1 | |
| SCHEMBL8082379 | 0.77 | ESR1 (0.42) | ESR1 | |
| SCHEMBL8167025 | 0.76 | MAOB (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-10072406-A | — | — | None | — | — | JP | disclosed |
| JP-H1072406-A | ANTIFERROELECTRIC LIQUID CRYSTAL COMPOUND | MITSUBISHI GAS CHEM CO INC | 1998-03-17 | — | — | JP | disclosed |