Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 17/20 | 0.67 |
| ▸ | IDH2 | P48735 | 6/20 | 0.67 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.56 |
| ▸ | KDR | P35968 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL17654737 | 0.88 | IDH1 (0.69) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL18742242 | 0.85 | IDH1 (0.75) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL19813112 | 0.84 | IDH2 (0.67) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL16448230 | 0.84 | IDH2 (0.69) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL29560643 | 0.81 | IDH1 (1.00) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL15102523 | 0.81 | IDH1 (1.00) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL19813111 | 0.81 | IDH1 (0.74) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL29763274 | 0.81 | IDH1 (0.77) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL29763324 | 0.81 | IDH1 (0.76) | IDH1IDH2ABCB11ADORA3CHRM1 | |
| SCHEMBL15102315 | 0.80 | IDH1 (0.78) | 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-3200800-A1 | THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE | Agios Pharmaceuticals, Inc. (US) | 2017-08-09 | — | — | EP | claimed |
| WO-2016053850-A1 | THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2016-04-07 | — | — | WO | claimed |