Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PRKCI | P41743 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.36 |
| ▸ | PLK4 | O00444 | 1/20 | 0.35 |
| ▸ | FLT4 | P35916 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | TEK | Q02763 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30083347 | 1.00 | ALDH1A1 (0.43) | ALDH1A1NPSR1PRKCIKDM4EHPGD | |
| SCHEMBL6829321 | 1.00 | ALDH1A1 (0.43) | ALDH1A1NPSR1PRKCIKDM4EHPGD | |
| SCHEMBL849259 | 0.85 | HTR2A (0.45) | ALDH1A1NPSR1KDM4EHPGDTSHR | |
| SCHEMBL849258 | 0.85 | HTR2A (0.45) | ALDH1A1NPSR1KDM4EHPGDTSHR | |
| SCHEMBL3016774 | 0.82 | ALDH1A1 (0.46) | ALDH1A1NPSR1TSHRTMEM97SIGMAR1 | |
| SCHEMBL15709956 | 0.80 | ALDH1A1 (0.50) | ALDH1A1NPSR1KDM4EHPGDTSHR | |
| SCHEMBL15243998 | 0.80 | ALDH1A1 (0.50) | ALDH1A1NPSR1KDM4EHPGDTSHR | |
| SCHEMBL15244603 | 0.80 | ALDH1A1 (0.50) | ALDH1A1NPSR1KDM4EHPGDTSHR | |
| SCHEMBL1466010 | 0.76 | ALDH1A1 (0.41) | ALDH1A1NPSR1KDM4EHPGDTSHR | |
| SCHEMBL1466008 | 0.76 | ALDH1A1 (0.41) | ALDH1A1NPSR1KDM4EHPGDTSHR |
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-2004046118-A2 | 2-4-(DI-PHENYL-AMINO)-PYRIMIDINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS | BAYER PHARMACEUTICALS CORPORATION (US) | 2004-06-03 | — | — | WO | disclosed |