Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 8/20 | 0.35 |
| ▸ | GART | P22102 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | ATIC | P31939 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8997195 | 0.95 | ATIC (0.35) | CYP4A11CYP4F2EP300GARTTLR7 | |
| SCHEMBL8997209 | 0.76 | CYP4A11 (0.43) | CYP4A11CYP4F2EP300GARTTLR7 | |
| SCHEMBL8997279 | 0.70 | DHFR (0.40) | CYP4A11CYP4F2TLR7ATICMAPT | |
| SCHEMBL9844790 | 0.70 | EP300 (0.38) | CYP4A11CYP4F2EP300MAPTTHRB | |
| SCHEMBL8997437 | 0.68 | DHFR (0.44) | CYP4A11GART | |
| SCHEMBL9844748 | 0.67 | DRD2 (0.39) | EP300TLR7MAPTTHRBMEN1 | |
| SCHEMBL9844763 | 0.64 | NPC1 (0.36) | TLR7MAPTMEN1KMT2A | |
| SCHEMBL9844745 | 0.64 | MAPT (0.35) | TLR7MAPTMEN1KMT2A | |
| SCHEMBL7505320 | 0.62 | CYP4A11 (0.60) | CYP4A11CYP4F2MAPTTHRB | |
| SCHEMBL14967206 | 0.62 | CYP4A11 (0.58) | CYP4A11CYP4F2MAPTMEN1KMT2A |
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 |