Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 5/20 | 0.39 |
| ▸ | DHFR | P00374 | 2/20 | 0.39 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.39 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.39 |
| ▸ | GART | P22102 | 1/20 | 0.39 |
| ▸ | ATIC | P31939 | 1/20 | 0.39 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.39 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.39 |
| ▸ | FRK | P42685 | 1/20 | 0.39 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | PNP | P00491 | 5/20 | 0.33 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL18780148 | 0.83 | TYMS (0.39) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL207072 | 0.82 | TYMS (0.49) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL25899206 | 0.82 | PNP (0.51) | TYMSDHFRFOLR2FOLR1GART | |
| Water SCHEMBL20450131 | 0.82 | TYMS (0.39) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL1238667 | 0.78 | TYMS (0.46) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL28422384 | 0.77 | TYMS (0.43) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL28417050 | 0.75 | TYMS (0.45) | TYMSDHFRFOLR2FOLR1GART | |
| SCHEMBL20206657 | 0.74 | PNP (0.35) | PNP | |
| SCHEMBL20202023 | 0.74 | BACE1 (0.36) | TYMSBACE1PNP | |
| SCHEMBL16797198 | 0.73 | GART (0.59) | TYMSDHFRFOLR2FOLR1GART |
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-3177595-B1 | ASYMMETRIC BISAMINOQUINOLINES AND BISAMINOQUINOLINES WITH VARIED LINKERS AS AUTOPHAGY INHIBITORS FOR CANCER AND OTHER THERAPY | UNIV PENNSYLVANIA (US) | 2021-02-24 | — | — | EP | disclosed |
| EP-2032989-B2 | IGFBP2 BIOMARKER | MERCK SHARP & DOHME (US) | 2015-10-28 | — | — | EP | disclosed |