Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11536219 | 0.89 | CXCR4 (0.64) | CXCR4ATMMAPTLMNAPOLB | |
| SCHEMBL11536912 | 0.89 | LMNA (0.61) | CXCR4ALDH1A1HPGDTSHRATM | |
| SCHEMBL11538782 | 0.88 | LMNA (0.62) | CXCR4ALDH1A1ATMGAALMNA | |
| SCHEMBL11539718 | 0.87 | ALDH1A1 (0.64) | CXCR4ALDH1A1HPGDATMMAPT | |
| SCHEMBL11539406 | 0.86 | ALDH1A1 (0.63) | CXCR4ALDH1A1ATMGAALMNA | |
| SCHEMBL11536601 | 0.85 | CXCR4 (0.54) | CXCR4ALDH1A1ATMMAPTGAA | |
| SCHEMBL11537128 | 0.83 | ATM (0.57) | CXCR4ALDH1A1HPGDATMMAPT | |
| SCHEMBL11537614 | 0.82 | ALDH1A1 (0.50) | CXCR4ALDH1A1HPGDTSHRMAPK1 | |
| SCHEMBL11535832 | 0.82 | ATM (0.59) | CXCR4ALDH1A1HPGDTSHRATM | |
| SCHEMBL11536229 | 0.81 | CXCR4 (0.53) | CXCR4ALDH1A1ATMMAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-4177054-A | PREEMERGENT AND POSTEMERGENT | SCHERING AKTIENGESELLSCHAFT (DE) | 1979-12-04 | — | — | US | claimed |
| US-4177054-A | PREEMERGENT AND POSTEMERGENT | SCHERING AKTIENGESELLSCHAFT (DE) | 1979-12-04 | — | — | US | disclosed |