Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.35 |
| ▸ | GART | P22102 | 1/20 | 0.34 |
| ▸ | ATIC | P31939 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TMPRSS11D | O60235 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.33 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL9038754 | 0.88 | DHFR (0.47) | DHFRGARTATIC | |
| SCHEMBL9039506 | 0.80 | DHFR (0.51) | DHFRGARTATIC | |
| SCHEMBL17475159 | 0.74 | ITGA4 (0.43) | POLBTMPRSS11DITGA4ITGB7 | |
| SCHEMBL17475162 | 0.74 | ITGA4 (0.43) | POLBTMPRSS11DITGA4ITGB7 | |
| SCHEMBL9037720 | 0.73 | DHFR (0.54) | DHFRGARTATICPOLB | |
| SCHEMBL10494200 | 0.73 | DHFR (0.39) | DHFR | |
| SCHEMBL10494211 | 0.73 | DHFR (0.39) | DHFR | |
| SCHEMBL10494207 | 0.73 | DHFR (0.39) | DHFR | |
| SCHEMBL9037088 | 0.73 | DHFR (0.66) | DHFR | |
| SCHEMBL9037916 | 0.69 | DHFR (0.69) | DHFRGARTATIC |
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-5426110-A | Inhibiting dihydrofolate reductase in mammals and treating susceptible reoplasms | ELI LILLY AND COMPANY (US) | 1995-06-20 | — | — | US | disclosed |
| WO-1995009845-A1 | PYRIMIDINYL-GLUTAMIC ACID DERIVATIVES | ELI LILLY AND COMPANY (US) | 1995-04-13 | — | — | WO | disclosed |