Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CKS1B | P61024 | 1/20 | 0.35 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8997438 | 0.82 | SIRT2 (0.36) | CYP4A11CYP4F2ALOX15CA1CA2 | |
| SCHEMBL8997209 | 0.68 | CYP4A11 (0.43) | CYP4A11CYP4F2LOXL2TP53ALDH1A1 | |
| SCHEMBL12176878 | 0.65 | CYP4A11 (0.70) | CYP4A11CYP4F2LOXL2MAPTTP53 | |
| SCHEMBL19922842 | 0.65 | CYP4A11 (0.60) | CYP4A11CYP4F2LOXL2TP53ALDH1A1 | |
| SCHEMBL7505320 | 0.65 | CYP4A11 (0.60) | CYP4A11CYP4F2LOXL2SMN1; SMN2MAPT | |
| SCHEMBL7987096 | 0.65 | CYP4A11 (0.56) | CYP4A11CYP4F2LOXL2TP53ALDH1A1 | |
| Hydrochloric Acid SCHEMBL19585552 | 0.64 | CYP4A11 (0.55) | CYP4A11CYP4F2LOXL2HRH1 | |
| SCHEMBL5733406 | 0.64 | CYP4A11 (0.72) | CYP4A11CYP4F2LOXL2MAPTTP53 | |
| SCHEMBL70185 | 0.63 | CYP4A11 (0.75) | CYP4A11CYP4F2LOXL2SMN1; SMN2MAPT | |
| SCHEMBL28281244 | 0.62 | CYP4A11 (0.73) | CYP4A11CYP4F2LOXL2MAPTTP53 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0334636-B1 | Pyrrolopyrimidine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1996-10-23 | — | — | EP | disclosed |
| US-5539113-A | ANTITUMOR AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-07-23 | — | — | US | disclosed |
| US-5296600-A | Antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-03-22 | — | — | US | disclosed |
| US-5106974-A | Antitumor and -carcinogenic agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-04-21 | — | — | US | disclosed |
| US-4997838-A | Antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-03-05 | — | — | US | disclosed |
| EP-0334636-A2 | Pyrrolopyrimidine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-09-27 | — | — | EP | disclosed |