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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 known ✓ | P00519 | 8/20 | 0.48 |
| ▸ | BCR known ✓ | P11274 | 7/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | TYK2 | P29597 | 5/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL15533134 | 0.97 | ABL1 (0.47) | ABL1BCRUSP2CYP1A2CYP3A4 | |
| SCHEMBL15534101 | 0.93 | TRPV1 (0.47) | ABL1BCRTRPV1JAK2TAS2R14 | |
| SCHEMBL15533761 | 0.93 | ABL1 (0.44) | ABL1BCRUSP2CYP1A2CYP3A4 | |
| Bromide SCHEMBL15534396 | 0.92 | TRPV1 (0.47) | ABL1BCRTRPV1JAK2TAS2R14 | |
| Hydrochloric Acid SCHEMBL15533549 | 0.92 | TRPV1 (0.47) | ABL1BCRTRPV1JAK2TAS2R14 | |
| SCHEMBL15534109 | 0.91 | ABL1 (0.42) | ABL1BCRUSP2CYP1A2CYP3A4 | |
| SCHEMBL15534290 | 0.88 | ABL1 (0.46) | ABL1BCRUSP2CYP1A2CYP3A4 | |
| SCHEMBL15534505 | 0.88 | ABL1 (0.46) | ABL1BCRUSP2CYP1A2CYP3A4 | |
| SCHEMBL15533228 | 0.84 | ABL1 (0.44) | ABL1BCRTRPV1JAK2TAS2R14 | |
| SCHEMBL15533762 | 0.83 | ABL1 (0.44) | ABL1BCRUSP2CYP1A2CYP3A4 |
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-2013175415-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF | Piramal Enterprises Limited (IN) | 2013-11-28 | — | — | WO | claimed |