Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28028145 | 0.68 | CHRNB2 (0.41) | ALDH1A1SMN1; SMN2TSHRCRHBPCRHR2 | |
| SCHEMBL29153345 | 0.62 | MEN1 (0.38) | ALDH1A1TSHRCRHBPCRHR2 | |
| SCHEMBL9966015 | 0.62 | OPRM1 (0.48) | ALDH1A1LMNAOPRM1OPRD1OPRK1 | |
| SCHEMBL12291968 | 0.62 | PKM (0.55) | ALDH1A1TSHRCYP2C19LMNAGAA | |
| SCHEMBL13386977 | 0.62 | SMN1; SMN2 (0.43) | ALDH1A1SMN1; SMN2LMNAGAA | |
| SCHEMBL19633193 | 0.62 | ALDH1A1 (0.40) | ALDH1A1TSHROPRM1OPRD1OPRK1 | |
| SCHEMBL4390734 | 0.62 | OPRM1 (0.48) | ALDH1A1SMN1; SMN2LMNAHTTATM | |
| SCHEMBL27686922 | 0.61 | OPRM1 (0.52) | LMNAOPRM1OPRD1OPRK1GAA | |
| SCHEMBL3635780 | 0.61 | MEN1 (0.47) | ALDH1A1CYP2C9OPRM1OPRK1 | |
| SCHEMBL28451545 | 0.61 | ALDH1A1 (0.42) | ALDH1A1CYP2C9CYP2C19LMNAGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104854108-A | Pyrrolotriazinone derivatives as pi3k inhibitors | ALMIRALL SA | 2015-08-19 | — | — | CN | claimed |
| CN-104854108-A | Pyrrolotriazinone derivatives as pi3k inhibitors | ALMIRALL SA | 2015-08-19 | — | — | CN | disclosed |