Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 7/20 | 0.51 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9315011 | 0.87 | DHFR (0.48) | DHFRCA1CA2 | |
| SCHEMBL24344752 | 0.81 | DHFR (0.65) | DHFRCA1CA2CA9 | |
| SCHEMBL24344201 | 0.75 | DHFR (0.61) | DHFRCA1CA2CA9 | |
| SCHEMBL9067320 | 0.74 | DHFR (0.47) | DHFRCA1CA2 | |
| SCHEMBL10582322 | 0.73 | DHFR (0.59) | DHFRCA1CA2CA9MEN1 | |
| SCHEMBL24344794 | 0.73 | DHFR (0.58) | DHFRCA1CA2CA9 | |
| SCHEMBL22679863 | 0.73 | DHFR (0.66) | DHFR | |
| SCHEMBL3434673 | 0.70 | DHFR (0.65) | DHFRCA1CA2CA9 | |
| SCHEMBL30433658 | 0.70 | DHFR (0.50) | DHFR | |
| SCHEMBL23996314 | 0.70 | DHFR (0.69) | DHFRCA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993022315-A1 | HETEROAROYL-10-DEAZAAMINOPTERINS FOR TREATMENT OF INFLAMMATION | SRI INTERNATIONAL (US) | 1993-11-11 | — | — | WO | disclosed |