Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.60 |
| ▸ | ACHE | P22303 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9042860 | 0.99 | CYP1A2 (0.59) | CYP1A2CYP2C9TSHRALDH1A1NR3C1 | |
| SCHEMBL9042855 | 0.80 | CYP1A2 (0.64) | CYP1A2CYP2C9TSHRALDH1A1NR3C1 | |
| SCHEMBL9870309 | 0.80 | CYP1A2 (0.58) | CYP1A2CYP2C9TSHRALDH1A1NR3C1 | |
| SCHEMBL9042096 | 0.77 | CYP1A2 (0.60) | CYP1A2CYP2C9TSHRALDH1A1NR3C1 | |
| SCHEMBL9041721 | 0.76 | RXFP1 (0.40) | CYP1A2CYP2C9TSHRALDH1A1NR3C1 | |
| Velnacrine SCHEMBL194467 | 0.76 | CYP1A2 (1.00) | CYP1A2CYP2C9TSHRALDH1A1NR3C1 | |
| SCHEMBL3807927 | 0.74 | CYP1A2 (0.72) | CYP1A2CYP2C9TSHRALDH1A1NR3C1 | |
| SCHEMBL9377996 | 0.74 | CYP1A2 (0.63) | CYP1A2CYP2C9TSHRALDH1A1NR3C1 | |
| Velnacrine SCHEMBL7193446 | 0.74 | TSHR (0.83) | CYP1A2CYP2C9TSHRALDH1A1NR3C1 | |
| Velnacrine SCHEMBL50846 | 0.74 | TSHR (0.83) | CYP1A2CYP2C9TSHRALDH1A1NR3C1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5112829-A | Intermediates for Cognition Activators | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1992-05-12 | — | — | US | claimed |
| EP-0430114-B1 | Hexahydro-1H-quino[4,3,2-ef][1,4]benzoxazepines and related compounds, a process and intermediates for their preparation and their use as medicaments | HOECHST ROUSSEL PHARMA (US) | 1996-02-07 | — | — | EP | disclosed |
| US-5112829-A | Intermediates for Cognition Activators | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1992-05-12 | — | — | US | disclosed |
| EP-0430114-A2 | Hexahydro-1H-quino[4,3,2-ef][1,4]benzoxazepines and related compounds, a process and intermediates for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-06-05 | — | — | EP | disclosed |
| US-4994452-A | Memory disfunction | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1991-02-19 | — | — | US | disclosed |