Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | STS | P08842 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9042572 | 0.84 | MAPT (0.43) | DHFRLMNAHSD17B10NPC1RAB9A | |
| SCHEMBL9039595 | 0.81 | DHFR (0.52) | DHFRLMNAHSD17B10NPC1RAB9A | |
| SCHEMBL8997197 | 0.74 | DHFR (0.37) | DHFR | |
| SCHEMBL9794864 | 0.72 | GART (0.59) | DHFRLMNAHSD17B10NPC1RAB9A | |
| SCHEMBL6701399 | 0.69 | TDP1 (0.74) | LMNAHSD17B10RAB9ATDP1L3MBTL1 | |
| SCHEMBL7843188 | 0.69 | NAMPT (0.57) | DHFRLMNACYP1A2CYP3A4MAOA | |
| SCHEMBL9042512 | 0.68 | NAMPT (0.43) | DHFRLMNARAB9ACYP1A2CYP3A4 | |
| SCHEMBL9044536 | 0.67 | NAMPT (0.51) | DHFRLMNACYP1A2CYP3A4MAOA | |
| SCHEMBL4247628 | 0.67 | TDP1 (0.62) | LMNATDP1L3MBTL1MAPTTBXAS1 | |
| SCHEMBL950916 | 0.67 | L3MBTL1 (0.66) | LMNATDP1L3MBTL1MAPTTBXAS1 |
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-0400562-B1 | Pyrrolopyrimidines, their production and use as tumoricidal agents | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1996-08-21 | — | — | EP | disclosed |
| EP-0400562-A1 | Pyrrolopyrimidines, their production and use as tumoricidal agents | Takeda Chemical Industries, Ltd. (JP) | 1990-12-05 | — | — | EP | disclosed |