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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF known ✓ | P15056 | 9/20 | 0.63 |
| ▸ | KDR known ✓ | P35968 | 5/20 | 0.63 |
| ▸ | ABL1 known ✓ | P00519 | 2/20 | 0.63 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.63 |
| ▸ | PDGFRB known ✓ | P09619 | 2/20 | 0.63 |
| ▸ | KIT known ✓ | P10721 | 2/20 | 0.63 |
| ▸ | FLT1 known ✓ | P17948 | 2/20 | 0.63 |
| ▸ | FLT4 known ✓ | P35916 | 2/20 | 0.63 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.63 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.63 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.63 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.63 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.63 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.63 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.55 |
| ▸ | BCR known ✓ | P11274 | 1/20 | 0.55 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.55 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.55 |
| ▸ | RAF1 | P04049 | 14/20 | 0.63 |
| ▸ | RET | P07949 | 3/20 | 0.63 |
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 SCHEMBL2043327 | 0.98 | RAF1 (0.63) | RAF1BRAFKDRRETAURKB | |
| SCHEMBL694648 | 0.96 | RAF1 (0.67) | RAF1BRAFKDRRETAURKB | |
| SCHEMBL2045624 | 0.96 | RAF1 (0.60) | RAF1BRAFKDRRETAURKB | |
| Hydrochloric Acid SCHEMBL1702120 | 0.96 | RAF1 (0.66) | RAF1BRAFKDRRETAURKB | |
| Hydrochloric Acid SCHEMBL1702492 | 0.95 | RAF1 (0.65) | RAF1BRAFKDRRETAURKB | |
| SCHEMBL1702409 | 0.93 | KDR (0.62) | RAF1BRAFKDRRETAURKB | |
| SCHEMBL1702025 | 0.92 | KDR (0.72) | RAF1BRAFKDRRETAURKB | |
| Maleic Acid SCHEMBL1702367 | 0.92 | RAF1 (0.61) | RAF1BRAFKDRRETAURKB | |
| SCHEMBL2042258 | 0.91 | RAF1 (0.55) | RAF1BRAFKDRRETAURKB | |
| SCHEMBL14481187 | 0.90 | RAF1 (0.59) | RAF1BRAFKDRRETAURKB |
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-2440531-A2 | POLYMORPHS OF 4-[4-[[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]CARBAMOYLAMINO]PHENOXY]-N-METHYL-PYRIDINE-2-CARBOXAMIDE | Ratiopharm GmbH (DE) | 2012-04-18 | — | — | EP | claimed |
| WO-2010142678-A2 | POLYMORPHS OF 4-[4-[[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]CARBAMOYLAMINO]PHENOXY]-N-METHYL-PYRIDINE-2-CARBOXAMIDE | RATIOPHARM GMBH (DE) | 2010-12-16 | — | — | WO | claimed |