Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CALM1 | P0DP23 | 3/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL8766421 | 0.82 | TAAR1 (0.57) | DAOALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL490893 | 0.81 | KCNJ1 (0.56) | CALM1ALDH1A1NPC1KCNJ1KCNH2 | |
| SCHEMBL11743064 | 0.80 | ALDH1A1 (0.46) | CYP19A1CALM1AKR1B1DAOALDH1A1 | |
| SCHEMBL4000998 | 0.79 | ALDH1A1 (0.39) | CYP19A1ALDH1A1KCNJ1KCNH2TSHR | |
| SCHEMBL10774828 | 0.78 | HTR2A (0.55) | CYP19A1PTGS2KMT2A | |
| SCHEMBL19559509 | 0.77 | TAAR1 (0.58) | ALDH1A1PTGS2PTGS1NPC1KCNJ1 | |
| SCHEMBL9491787 | 0.76 | CYP19A1 (0.68) | CYP19A1CALM1AKR1B1DAOALDH1A1 | |
| SCHEMBL8343609 | 0.73 | ATM (0.56) | CYP19A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL29638741 | 0.73 | ATM (0.56) | CYP19A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL30386000 | 0.72 | TAAR1 (0.49) | CYP19A1ALDH1A1PTGS2PTGS1KCNJ1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1022319-C | 1, 2, 3, 4-tetrahydronaphthalene derivatives, process for their preparation and their use as medicaments | MERRELL DOW PHARMA (US) | 1993-10-06 | — | — | CN | disclosed |
| 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 |
| CN-1044460-A | Novel 1,2,3,4-tetralin derivative | MERRELL DOW PHARMA (US) | 1990-08-08 | — | — | CN | disclosed |
| EP-0378456-A1 | Tetralin derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-07-18 | — | — | EP | disclosed |