Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 3/20 | 0.34 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.34 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.34 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.34 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 3/20 | 0.32 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL9733267 | 0.89 | HTR1A (0.38) | HTR1AALDH1A1LMNATSHRPGR | |
| SCHEMBL9733284 | 0.87 | HTR1A (0.37) | HTR1AALDH1A1PGRABCC9ABCC8 | |
| SCHEMBL9733608 | 0.81 | HTR1A (0.36) | HTR1AALDH1A1PGRBACE1 | |
| SCHEMBL9733278 | 0.80 | PGR (0.36) | HTR1AALDH1A1PGRBACE1 | |
| SCHEMBL9733561 | 0.78 | PGR (0.36) | HTR1AALDH1A1PGRABCC9ABCC8 | |
| SCHEMBL9589614 | 0.77 | ABCC9 (0.38) | HTR1APGRABCC9ABCC8KCNJ11 | |
| SCHEMBL8085392 | 0.77 | HTR1A (0.35) | HTR1APGRABCC9ABCC8KCNJ11 | |
| SCHEMBL8088666 | 0.75 | CASP3 (0.34) | HTR1APGRABCC9ABCC8KCNJ11 | |
| SCHEMBL6369766 | 0.75 | ABCC9 (0.50) | HTR1APGRABCC9ABCC8KCNJ11 | |
| SCHEMBL9587196 | 0.75 | ABCC9 (0.47) | HTR1APGRABCC9ABCC8KCNJ11 |
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 |