Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 6/20 | 0.67 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | CDK9 | P50750 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27974551 | 0.85 | DHFR (0.49) | DHFRADORA1ADORA2AMAP4K4KDM4E | |
| SCHEMBL30401146 | 0.83 | DHFR (0.71) | DHFRADORA1ADORA2AMAP4K4 | |
| SCHEMBL1388358 | 0.83 | DHFR (0.71) | DHFRADORA1ADORA2AMAP4K4 | |
| SCHEMBL4613214 | 0.82 | DHFR (0.53) | DHFRADORA1 | |
| SCHEMBL27631899 | 0.81 | DHFR (0.69) | DHFRADORA1ADORA2A | |
| SCHEMBL20150236 | 0.80 | ADORA1 (0.51) | DHFRADORA1ADORA2AMAPT | |
| SCHEMBL1388335 | 0.80 | DHFR (0.67) | DHFRADORA1ADORA2AKDM4EMEN1 | |
| SCHEMBL1388276 | 0.80 | ADORA1 (0.70) | DHFRADORA1ADORA2AMAP4K4CDK9 | |
| SCHEMBL29913330 | 0.80 | DHFR (1.00) | DHFRADORA1ADORA2AMAP4K4 | |
| SCHEMBL1116404 | 0.80 | ADORA1 (0.70) | DHFRADORA1ADORA2AMAP4K4CDK9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-H08504798-A | — | — | 1996-05-21 | — | — | JP | claimed |
| WO-1994014780-A1 | PYRIMIDINE, PYRIDINE, PTERIDINONE AND INDAZOLE DERIVATIVES AS ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-07-07 | — | — | WO | claimed |
| WO-1994014780-A1 | PYRIMIDINE, PYRIDINE, PTERIDINONE AND INDAZOLE DERIVATIVES AS ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-07-07 | — | — | WO | disclosed |