Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.37 |
| ▸ | PGR | P06401 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.34 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.34 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.34 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 3/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9733561 | 0.91 | PGR (0.36) | HTR1APGRALDH1A1KMT2AABCC9 | |
| SCHEMBL9733783 | 0.87 | HTR1A (0.36) | HTR1APGRALDH1A1KMT2AABCC9 | |
| SCHEMBL9733267 | 0.86 | HTR1A (0.38) | HTR1APGRALDH1A1BACE1NSD2 | |
| SCHEMBL9733966 | 0.86 | ALDH1A1 (0.33) | PGRALDH1A1KMT2AABCC9ABCC8 | |
| SCHEMBL9733622 | 0.85 | POLB (0.35) | PGRABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL9733608 | 0.84 | HTR1A (0.36) | HTR1APGRALDH1A1BACE1CCNB2 | |
| SCHEMBL9733774 | 0.83 | HTR1A (0.38) | HTR1APGRABCC9BACE1GSK3B | |
| SCHEMBL9733278 | 0.83 | PGR (0.36) | HTR1APGRALDH1A1BACE1 | |
| SCHEMBL9733259 | 0.83 | PGR (0.34) | PGRABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL9733746 | 0.83 | PGR (0.34) | PGRABCC9ABCC8KCNJ11KCNJ8 |
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 6 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 | claimed |
| EP-0368160-A1 | Tetralin derivatives | MERCK PATENT GmbH (DE) | 1990-05-16 | — | — | EP | claimed |
| JP-2172973-A | — | — | None | — | — | JP | disclosed |
| US-5132307-A | TETRALIN COMPOUNDS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-07-21 | — | — | US | disclosed |
| JP-H02172973-A | TETRALIN DERIVATIVE | MERCK PATENT GMBH | 1990-07-04 | — | — | JP | disclosed |
| EP-0368160-A1 | Tetralin derivatives | MERCK PATENT GmbH (DE) | 1990-05-16 | — | — | EP | disclosed |