Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.34 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9733229 | 0.90 | VCAM1 (0.35) | VCAM1ALKMAPTMAPK1TDP1 | |
| SCHEMBL9733247 | 0.89 | VCAM1 (0.39) | VCAM1ALKMAPTMAPK1TDP1 | |
| SCHEMBL9733508 | 0.86 | PGR (0.32) | ALK | |
| SCHEMBL9733168 | 0.85 | ABCC9 (0.34) | VCAM1ALKABCC9 | |
| SCHEMBL9733088 | 0.84 | MAPT (0.36) | VCAM1ALKMAPTMAPK1TDP1 | |
| SCHEMBL9734137 | 0.84 | BACE1 (0.35) | ALK | |
| SCHEMBL9733591 | 0.82 | VCAM1 (0.37) | VCAM1ALKABCC9 | |
| SCHEMBL8085153 | 0.81 | PDE4A (0.38) | VCAM1MAPTABCC9AR | |
| SCHEMBL9733322 | 0.80 | KCNJ1 (0.36) | VCAM1ALKMAPTMAPK1TDP1 | |
| SCHEMBL9733641 | 0.79 | OTUD7B (0.31) | — |
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 |