Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 3/20 | 0.65 |
| ▸ | WNT3A | P56704 | 3/20 | 0.65 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | CA6 | P23280 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | TPMT | P51580 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL27200216 | 0.98 | CTNNB1 (0.63) | CTNNB1WNT3AMAPTTSHRCYP1A2 | |
| SCHEMBL5355533 | 0.98 | CTNNB1 (0.63) | CTNNB1WNT3AMAPTTSHRCYP1A2 | |
| SCHEMBL31556192 | 0.93 | CTNNB1 (0.73) | CTNNB1WNT3AMAPTTSHRCYP1A2 | |
| SCHEMBL31556194 | 0.92 | CTNNB1 (0.71) | CTNNB1WNT3AMAPTTSHRCYP1A2 | |
| SCHEMBL14483927 | 0.90 | CTNNB1 (0.69) | CTNNB1WNT3AMAPTTSHRCYP1A2 | |
| SCHEMBL9375696 | 0.87 | CTNNB1 (0.65) | CTNNB1WNT3AMAPTTSHRCYP1A2 | |
| SCHEMBL9557967 | 0.86 | HPGD (0.51) | CTNNB1WNT3ACYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL10455919 | 0.86 | CTNNB1 (0.83) | CTNNB1WNT3AMAPTTSHRCYP1A2 | |
| SCHEMBL9588048 | 0.86 | THRA (0.66) | CTNNB1WNT3APDE4BPDE4APDE4C | |
| SCHEMBL9117986 | 0.86 | CTNNB1 (0.63) | CTNNB1WNT3AMAPTTSHRCYP1A2 |
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-0548664-B1 | 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives | HOFFMANN LA ROCHE (CH) | 1995-05-31 | — | — | EP | disclosed |
| US-5318967-A | Cognition activators for alzheimer's disease, learning enhancement | HOFFMANN-LA ROCHE INC. (US) | 1994-06-07 | — | — | US | disclosed |
| US-5318966-A | Administering the enzyme inhibitor for treating alzheimer's disease, learning enhancement, brain disorders | HOFFMANN-LA ROCHE INC. (US) | 1994-06-07 | — | — | US | disclosed |
| EP-0548664-A1 | 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1993-06-30 | — | — | EP | disclosed |