Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | TSPO | P30536 | 1/20 | 0.42 |
| ▸ | GPR183 | P32249 | 1/20 | 0.42 |
| ▸ | APLNR | P35414 | 1/20 | 0.42 |
| ▸ | APOB | P04114 | 2/20 | 0.42 |
| ▸ | MTTP | P55157 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL97456 | 0.88 | CFTR (0.49) | BCAT2POLBCYP1A2ALDH1A1LMNA | |
| SCHEMBL100511 | 0.82 | RAB9A (0.56) | POLBALDH1A1LMNASMN1; SMN2NPC1 | |
| SCHEMBL1658803 | 0.78 | SMN1; SMN2 (0.51) | RXFP1SMN1; SMN2NPC1RAB9AHTT | |
| SCHEMBL18921204 | 0.71 | ALDH1A1 (0.48) | BCAT2ALDH1A1MAPTHTR2AKDM4E | |
| SCHEMBL7224833 | 0.69 | BCAT2 (0.77) | BCAT2POLBCYP1A2ALDH1A1LMNA | |
| SCHEMBL20303506 | 0.69 | NPC1 (0.57) | POLBCYP1A2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL11558124 | 0.69 | TERT (0.48) | POLBALDH1A1LMNASMN1; SMN2MAPT | |
| SCHEMBL29042565 | 0.68 | CA1 (0.63) | POLBALDH1A1LMNANPC1MAPT | |
| SCHEMBL1408452 | 0.68 | PTGS1 (0.66) | CYP1A2ALDH1A1LMNARXFP1SMN1; SMN2 | |
| SCHEMBL5900421 | 0.68 | PTGS1 (0.63) | CYP1A2ALDH1A1LMNARXFP1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2011513379-A | — | — | 2011-04-28 | — | — | JP | claimed |
| EP-2254882-A2 | INTERMEDIATES AND A PROCESS EMPLOYING THE INTERMEDIATES FOR THE PREPARATION OF (3-TRIFLUOROMETHYLSULFONYL)-N-[4-METHYL-3- (4-PYRIDIN-3-YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE | Natco Pharma Limited (IN) | 2010-12-01 | — | — | EP | claimed |
| WO-2009109866-A2 | INTERMEDIATES AND A PROCESS EMPLOYING THE INTERMEDIATES FOR THE PREPARATION OF (3-TRIFLUOROMETHYLSULFONYL)-N-[4-METHYL-3- (4-PYRIDIN-3-YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE | NATCO PHARMA LIMITED (IN) | 2009-09-11 | — | — | WO | claimed |