Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.31 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9733622 | 0.84 | POLB (0.35) | TDP2BACE1PGRPOLBCASP3 | |
| SCHEMBL9734020 | 0.82 | CYP11B2 (0.37) | BACE1PGRPOLBCASP3CYP11B2 | |
| SCHEMBL9733106 | 0.82 | PGR (0.34) | BACE1PGRPOLBCASP3CYP11B2 | |
| SCHEMBL9733259 | 0.80 | PGR (0.34) | BACE1PGRPOLBCASP3CYP11B2 | |
| SCHEMBL7275951 | 0.79 | PDE4A (0.41) | TDP2CASP3MALT1 | |
| SCHEMBL9733851 | 0.78 | MAOB (0.34) | TDP2BACE1PGRPOLBCASP3 | |
| SCHEMBL9733284 | 0.78 | HTR1A (0.37) | BACE1PGRPOLBCASP3 | |
| SCHEMBL9733774 | 0.77 | HTR1A (0.38) | BACE1PGRPOLBCASP3CYP11B2 | |
| SCHEMBL9733886 | 0.77 | PGR (0.34) | BACE1PGRPOLBCASP3CYP11B2 | |
| SCHEMBL9733957 | 0.76 | CYP19A1 (0.35) | BACE1PGRPOLBCASP3CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5132307-A | TETRALIN COMPOUNDS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-07-21 | — | — | US | disclosed |
| EP-0368160-A1 | Tetralin derivatives | MERCK PATENT GmbH (DE) | 1990-05-16 | — | — | EP | disclosed |