Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGPAT2 | O15120 | 7/20 | 0.62 |
| ▸ | CDK9 | P50750 | 4/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CASP3 | P42574 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13622492 | 0.96 | AGPAT2 (0.58) | AGPAT2CDK9L3MBTL1SMN1; SMN2KDM4E | |
| SCHEMBL13622493 | 0.93 | AGPAT2 (0.61) | AGPAT2CDK9L3MBTL1SMN1; SMN2KDM4E | |
| SCHEMBL4358789 | 0.91 | AGPAT2 (0.55) | AGPAT2CDK9L3MBTL1SMN1; SMN2KDM4E | |
| SCHEMBL4367971 | 0.89 | AGPAT2 (0.60) | AGPAT2CDK9SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL13622502 | 0.89 | AGPAT2 (0.60) | AGPAT2CDK9SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL13622495 | 0.88 | AGPAT2 (0.56) | AGPAT2CDK9L3MBTL1SMN1; SMN2KDM4E | |
| SCHEMBL4359948 | 0.88 | AGPAT2 (0.55) | AGPAT2CDK9SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL4360656 | 0.86 | AGPAT2 (0.56) | AGPAT2CDK9SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL4359688 | 0.86 | AGPAT2 (0.70) | AGPAT2CDK9SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL4369206 | 0.85 | AGPAT2 (0.49) | AGPAT2CDK9L3MBTL1SMN1; SMN2KDM4E |
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-2003037346-A1 | 6-PHENYL-N-PHENYL-(1,3,5) -TRIAZINE-2,4-DIAMINE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOPHPHOSPHATIDIC ACID ACYLTRANSFERASE BETA (LPAAT-BETA) INHIBITORY ACTIVITY FOR USE IN THE TREATMENT OF CANCER | CELL THERAPEUTICS, INC. (US) | 2003-05-08 | — | — | WO | disclosed |