Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 known ✓ | P48735 | 9/20 | 0.77 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.69 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.69 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.69 |
| ▸ | IDH1 | O75874 | 16/20 | 0.69 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.69 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.69 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.69 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.69 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.69 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL16433014 | 0.89 | IDH1 (0.76) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL30556437 | 0.89 | IDH1 (0.76) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL16448230 | 0.89 | IDH2 (0.69) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL29763338 | 0.88 | IDH1 (0.73) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL19813111 | 0.87 | IDH1 (0.74) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| Enasidenib SCHEMBL29773080 | 0.87 | IDH2 (1.00) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| Enasidenib SCHEMBL16448052 | 0.87 | IDH2 (1.00) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL15102236 | 0.87 | IDH1 (0.71) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL29763437 | 0.87 | IDH1 (0.72) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL15102411 | 0.87 | IDH1 (0.72) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2015018060-A1 | CRYSTALLINE FORMS OF THERAPEUTICALLY ACTIVE COMPOUNDS AND USE THEREOF | AGIOS PHARMACEUTICALS, INC. (US) | 2015-02-12 | — | — | WO | disclosed |