Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CKS1B | P61024 | 1/20 | 0.44 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CCR6 | P51684 | 1/20 | 0.43 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 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 | |
|---|---|---|---|---|
| SCHEMBL8802862 | 0.90 | TP53 (0.46) | DHFRTP53CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL8800454 | 0.86 | MBOAT4 (0.49) | DHFRALDH1A1HPGDHSD17B10MBOAT4 | |
| SCHEMBL6304727 | 0.77 | MBOAT4 (0.62) | DHFRTP53CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL8801558 | 0.76 | MBOAT4 (0.44) | DHFRALDH1A1MBOAT4 | |
| SCHEMBL9844834 | 0.76 | DHFR (0.69) | DHFR | |
| SCHEMBL13650292 | 0.76 | CSF1R (0.50) | DHFRTP53CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL9227019 | 0.73 | DHFR (0.65) | DHFR | |
| SCHEMBL9085311 | 0.72 | NAMPT (0.53) | DHFRCYP4A11CYP4F2NAMPT | |
| SCHEMBL9844806 | 0.72 | NPC1 (0.39) | DHFRTP53CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL9889382 | 0.71 | DHFR (0.60) | DHFRTLR8TLR7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0530537-B1 | Condensed pyrimidine derivatives, their production and use as antitumor agents | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-01-08 | — | — | EP | disclosed |
| US-5403843-A | Pyrrolopyrimidinyalglutaminate derivatives and their use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-04-04 | — | — | US | disclosed |
| EP-0530537-A1 | Condensed pyrimidine derivatives, their production and use as antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-03-10 | — | — | EP | disclosed |
| EP-0438261-A2 | Condensed heterocyclic glutamic acid derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-07-24 | — | — | EP | disclosed |