Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 3/20 | 0.34 |
| ▸ | BACE1 | P56817 | 7/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 2/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.31 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.31 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.31 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.31 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.31 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9733784 | 0.83 | CYP11B2 (0.35) | PGRBACE1GABRA1GABRG2GABRB3 | |
| SCHEMBL9734080 | 0.83 | PDE4B (0.36) | PGRPOLBCYP11B2 | |
| SCHEMBL9733741 | 0.81 | GABRA1 (0.41) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL9734020 | 0.80 | CYP11B2 (0.37) | PGRBACE1GABRA1GABRG2GABRB3 | |
| SCHEMBL9733851 | 0.79 | MAOB (0.34) | PGRBACE1NSD2POLBCASP3 | |
| SCHEMBL9733908 | 0.79 | OPRM1 (0.36) | BACE1CASP3 | |
| SCHEMBL10694946 | 0.78 | PDE4A (0.41) | CASP3ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL9733622 | 0.78 | POLB (0.35) | PGRBACE1NSD2POLBCASP3 | |
| SCHEMBL9733759 | 0.77 | TDP2 (0.35) | PGRBACE1POLBCASP3CYP11B2 | |
| SCHEMBL9733284 | 0.76 | HTR1A (0.37) | PGRBACE1GABRA1GABRG2GABRB3 |
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-5132307-A | TETRALIN COMPOUNDS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-07-21 | — | — | US | disclosed |