Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 6/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9770691 | 0.79 | MAPT (0.50) | MAPTCXCR4ALDH1A1SMN1; SMN2HTR6 | |
| SCHEMBL9770594 | 0.75 | MCL1 (0.44) | CXCR4ALDH1A1HTTCYP2D6KMT2A | |
| Hydrochloric Acid SCHEMBL9770597 | 0.74 | MCL1 (0.43) | CXCR4ALDH1A1HTTCYP2D6MEN1 | |
| SCHEMBL8782954 | 0.71 | CXCR4 (0.38) | CXCR4CYP2D6 | |
| SCHEMBL9770490 | 0.71 | CXCR4 (0.38) | CXCR4HTR6CYP2D6 | |
| SCHEMBL9770619 | 0.70 | CXCR4 (0.38) | CXCR4CYP2D6 | |
| SCHEMBL9770639 | 0.70 | ALDH1A1 (0.47) | MAPTALDH1A1SMN1; SMN2HTTTP53 | |
| SCHEMBL11733028 | 0.70 | SIRT1 (0.39) | CXCR4ALDH1A1CYP2D6MEN1KMT2A | |
| SCHEMBL20851571 | 0.70 | CXCR4 (0.37) | CXCR4CYP2D6 | |
| SCHEMBL1688215 | 0.70 | CXCR4 (0.37) | CXCR4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5001131-A | Pyridine derivatives | JOHN WYETH & BROTHER LIMITED (GB) | 1991-03-19 | — | — | US | disclosed |