Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9551657 | 0.98 | SIGMAR1 (0.54) | SIGMAR1CYP2D6CYP2C9CYP2C19TRPV6 | |
| SCHEMBL31670698 | 0.96 | SIGMAR1 (0.55) | SIGMAR1CYP2D6CYP2C9CYP2C19TRPV6 | |
| SCHEMBL17157069 | 0.84 | SMN1; SMN2 (0.55) | SIGMAR1CYP2D6CYP2C9CYP2C19TRPV6 | |
| SCHEMBL14662295 | 0.84 | CYP2D6 (0.51) | SIGMAR1CYP2D6CYP2C9CYP2C19TRPV6 | |
| SCHEMBL7553199 | 0.83 | ALDH1A1 (0.56) | SIGMAR1CYP2D6CYP2C9CYP2C19TRPV6 | |
| SCHEMBL3569497 | 0.82 | CYP2D6 (0.50) | SIGMAR1CYP2D6CYP2C9CYP2C19TRPV6 | |
| SCHEMBL12536025 | 0.82 | CYP2D6 (0.54) | SIGMAR1CYP2D6CYP2C9CYP2C19TRPV6 | |
| SCHEMBL4906722 | 0.82 | SIGMAR1 (0.52) | SIGMAR1CYP2D6CYP2C9CYP2C19TRPV6 | |
| SCHEMBL3108724 | 0.82 | SIGMAR1 (0.52) | SIGMAR1CYP2D6CYP2C9CYP2C19TRPV6 | |
| Hydrochloric Acid SCHEMBL7228224 | 0.81 | SIGMAR1 (0.50) | SIGMAR1CYP2D6CYP2C9CYP2C19TRPV6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6160003-A | 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia | CELL PATHWAYS, INC. (US) | 2000-12-12 | — | — | US | claimed |