Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 16/20 | 0.68 |
| ▸ | IDH2 | P48735 | 10/20 | 0.67 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.63 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.63 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.63 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.63 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.63 |
| ▸ | KDR | P35968 | 1/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.63 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL15102476 | 0.91 | IDH1 (0.81) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL29763251 | 0.91 | IDH1 (0.81) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL15102466 | 0.89 | IDH1 (0.81) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL21573340 | 0.88 | IDH1 (0.64) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL18510340 | 0.87 | IDH1 (0.75) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL18774517 | 0.86 | IDH2 (0.85) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL15102298 | 0.85 | IDH1 (0.64) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL29763286 | 0.85 | IDH1 (0.64) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL16370636 | 0.85 | IDH1 (0.77) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL29763354 | 0.84 | IDH1 (0.74) | IDH1IDH2ABCB11ADORA3CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3019483-B1 | THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS INC (US) | 2019-11-20 | — | — | EP | disclosed |