Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 11/20 | 0.41 |
| ▸ | FOLR1 | P15328 | 2/20 | 0.41 |
| ▸ | SLC19A1 | P41440 | 2/20 | 0.41 |
| ▸ | SLC46A1 | Q96NT5 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TLR4 | O00206 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TYMS | P04818 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15054330 | 0.78 | DHFR (0.39) | DHFRFOLR1SLC19A1SLC46A1ALDH1A1 | |
| SCHEMBL13529660 | 0.72 | DHFR (0.70) | DHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL9542097 | 0.72 | DHFR (0.69) | DHFRFOLR1SLC19A1SLC46A1ALDH1A1 | |
| SCHEMBL15075303 | 0.71 | DHFR (0.54) | DHFRFOLR1SLC19A1SLC46A1 | |
| SCHEMBL15055069 | 0.70 | NOS1 (0.35) | DHFRALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL23028940 | 0.68 | ADORA2A (0.46) | MEN1MAPTBLMKMT2A | |
| SCHEMBL11629266 | 0.68 | DHFR (0.65) | DHFR | |
| SCHEMBL24344752 | 0.68 | DHFR (0.65) | DHFR | |
| SCHEMBL221621 | 0.67 | DHFR (0.71) | DHFRFOLR1SLC19A1SLC46A1ALDH1A1 | |
| SCHEMBL29658170 | 0.67 | DHFR (0.71) | DHFRFOLR1SLC19A1SLC46A1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013164856-A1 | A PROCESS FOR PREPARING INTERMEDIATES OF 10-PROPARGYL-10-DEAZAAMINOPTERIN (PRALATREXATE) SYNTHESIS AND THE INTERMEDIATES THEREOF | AVRA LABORATORIES PRIVATE LIMITED (IN) | 2013-11-07 | — | — | WO | claimed |
| WO-2013164856-A1 | A PROCESS FOR PREPARING INTERMEDIATES OF 10-PROPARGYL-10-DEAZAAMINOPTERIN (PRALATREXATE) SYNTHESIS AND THE INTERMEDIATES THEREOF | AVRA LABORATORIES PRIVATE LIMITED (IN) | 2013-11-07 | — | — | WO | disclosed |