Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | ABL1 | P00519 | 3/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.46 |
| ▸ | BCR | P11274 | 3/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL26768168 | 0.90 | ESR1 (0.46) | MEN1ESR1KMT2AHSD17B1HSD17B2 | |
| SCHEMBL26767461 | 0.88 | MEN1 (0.44) | MEN1ESR1KMT2AHSD17B1HSD17B2 | |
| SCHEMBL18621839 | 0.88 | DHODH (0.45) | MEN1ESR1KMT2AHSD17B1HSD17B2 | |
| SCHEMBL18621840 | 0.84 | RXRA (0.42) | MEN1ESR1KMT2AHSD17B1HSD17B2 | |
| SCHEMBL18621842 | 0.84 | HSD17B1 (0.44) | MEN1ESR1KMT2AHSD17B1HSD17B2 | |
| SCHEMBL18621857 | 0.84 | MEN1 (0.41) | MEN1ESR1KMT2AHSD17B1HSD17B2 | |
| SCHEMBL20786828 | 0.83 | ENPP3 (0.49) | HSD17B1HSD17B2PGRALDH1A1 | |
| SCHEMBL18621858 | 0.82 | MEN1 (0.40) | MEN1ESR1KMT2AHSD17B1HSD17B2 | |
| SCHEMBL18436810 | 0.82 | MEN1 (0.40) | MEN1ESR1KMT2AHSD17B1HSD17B2 | |
| SCHEMBL30122416 | 0.81 | ALDH1A1 (0.60) | CYP3A4CA12CA2CA9TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023208801-A1 | LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2023-11-02 | — | — | WO | disclosed |