Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL994388 | 0.74 | GRM4 (0.39) | ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL948263 | 0.74 | POLB (0.41) | KMT2ACHRM2CHRM1SIGMAR1LMNA | |
| SCHEMBL948868 | 0.72 | LMNA (0.39) | ALDH1A1CYP1A2CYP2D6TSHRKMT2A | |
| SCHEMBL935029 | 0.70 | L3MBTL1 (0.48) | ALDH1A1CYP1A2CYP2D6TSHRCYP3A4 | |
| SCHEMBL6168733 | 0.70 | CXCR4 (0.45) | ALDH1A1HSD17B10KMT2AHRH3MEN1 | |
| SCHEMBL948461 | 0.69 | KDM4E (0.48) | ALDH1A1CYP2D6TSHRCYP3A4CYP2C19 | |
| SCHEMBL27708992 | 0.65 | ALDH1A1 (0.51) | ALDH1A1CYP2D6CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL1741859 | 0.65 | SIGMAR1 (0.56) | ALDH1A1CYP2C19KMT2ASIGMAR1MAPT | |
| SCHEMBL353955 | 0.64 | POLB (0.41) | ALDH1A1CYP1A2MAPTLMNAPOLB | |
| SCHEMBL159991 | 0.63 | ALDH1A1 (0.53) | ALDH1A1CYP2D6CYP3A4CYP2C19HSD17B10 |
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-2451802-A1 | PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY | Pathway Therapeutics, Inc. (US) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011005119-A1 | PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY | PATHWAY THERAPEUTICS LIMITED (NZ) | 2011-01-13 | — | — | WO | disclosed |