Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 12/20 | 0.76 |
| ▸ | IDH1 | O75874 | 15/20 | 0.69 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.69 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.69 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.69 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.69 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.69 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.69 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.69 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.69 |
| ▸ | KDR | P35968 | 1/20 | 0.69 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL28565595 | 0.90 | IDH1 (0.76) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL24754739 | 0.88 | IDH2 (0.72) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL15094940 | 0.87 | IDH2 (0.71) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL29763239 | 0.87 | IDH2 (0.71) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL29763396 | 0.87 | IDH2 (0.71) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL15124311 | 0.87 | IDH2 (0.71) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL20210922 | 0.86 | IDH2 (0.70) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL29117431 | 0.84 | IDH2 (1.00) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL15102450 | 0.83 | IDH1 (0.82) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL18557071 | 0.83 | IDH2 (0.71) | IDH2IDH1 |
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-9579324-B2 | Therapeutically active compounds and their methods of use | AGIOS PHARMACEUTICALS, INC (US) | 2017-02-28 | — | — | US | disclosed |