Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | DRD1 | P21728 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ANPEP | P15144 | 2/20 | 0.39 |
| ▸ | KYAT1 | Q16773 | 1/20 | 0.39 |
| ▸ | KYAT3 | Q6YP21 | 1/20 | 0.39 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19122792 | 0.74 | CA1 (0.47) | ACHEDRD1ALDH1A1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL5316243 | 0.71 | CA1 (0.45) | ACHEDRD1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL24651156 | 0.67 | LMNA (0.43) | ACHECA1CA2ADRA1ADYRK1A | |
| SCHEMBL24651149 | 0.66 | ACHE (0.41) | ACHEDRD1ALDH1A1CA1CA2 | |
| SCHEMBL24650401 | 0.66 | LMNA (0.43) | ACHECA1CA2ADRA1ADYRK1A | |
| SCHEMBL24650259 | 0.66 | FFAR1 (0.41) | ACHECA1CA2 | |
| SCHEMBL24650378 | 0.65 | CA1 (0.42) | ACHECA1CA2ADRA1A | |
| SCHEMBL24650913 | 0.65 | ACHE (0.42) | ACHEALDH1A1CYP1A2CA1CA2 | |
| SCHEMBL13926858 | 0.64 | MAP2K3 (0.48) | DRD1ALDH1A1CYP3A4HTR1ACA1 | |
| SCHEMBL13169788 | 0.64 | MAP2K3 (0.48) | DRD1ALDH1A1CYP3A4HTR1ACA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0378456-B1 | TETRALIN DERIVATIVES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-09-15 | — | — | EP | disclosed |
| US-5106861-A | Method of using certain tetralin derivatives to produce analgesic relief | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-04-21 | — | — | US | disclosed |
| US-5041673-A | Aminopeptidase inhibitors, immunomodulators, analgesics | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-08-20 | — | — | US | disclosed |
| EP-0378456-A1 | Tetralin derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-07-18 | — | — | EP | disclosed |