Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 14/20 | 0.54 |
| ▸ | IDH1 | O75874 | 14/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL17960993 | 0.81 | IDH2 (0.78) | IDH2IDH1 | |
| SCHEMBL16393033 | 0.81 | IDH2 (0.78) | IDH2IDH1 | |
| SCHEMBL21573358 | 0.79 | IDH2 (0.56) | IDH2IDH1 | |
| SCHEMBL29763239 | 0.75 | IDH2 (0.71) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL15094940 | 0.75 | IDH2 (0.71) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL18557146 | 0.74 | IDH1 (0.54) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL18471371 | 0.74 | IDH1 (0.61) | IDH2IDH1 | |
| SCHEMBL24754739 | 0.74 | IDH2 (0.72) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL18557150 | 0.74 | IDH2 (0.76) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL28565595 | 0.74 | IDH1 (0.76) | IDH2IDH1ABCB11ADORA3CHRM1 |
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-3686190-A1 | SYNTHESIS OF THERAPEUTICALLY ACTIVE COMPOUNDS | Agios Pharmaceuticals, Inc. (US) | 2020-07-29 | — | — | EP | disclosed |