Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 17/20 | 0.76 |
| ▸ | IDH2 | P48735 | 7/20 | 0.76 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.74 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.74 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.74 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.74 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.74 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.74 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.74 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.74 |
| ▸ | KDR | P35968 | 1/20 | 0.74 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.74 |
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 | |
|---|---|---|---|---|
| SCHEMBL30556437 | 1.00 | IDH1 (0.76) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL29763353 | 0.91 | IDH1 (0.64) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL29763381 | 0.91 | IDH1 (0.72) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL15102608 | 0.91 | IDH1 (0.64) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL15102297 | 0.91 | IDH1 (0.72) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL15102411 | 0.90 | IDH1 (0.72) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL29763338 | 0.89 | IDH1 (0.73) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL15094879 | 0.89 | IDH1 (0.76) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL16448228 | 0.89 | IDH2 (0.77) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL28468264 | 0.87 | IDH1 (0.72) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3027193-A2 | THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE | Agios Pharmaceuticals, Inc. (US) | 2016-06-08 | — | — | EP | disclosed |
| WO-2015017821-A2 | THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2015-02-05 | — | — | WO | disclosed |