Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.44 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | USP28 | Q96RU2 | 1/20 | 0.36 |
| ▸ | USP25 | Q9UHP3 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 3/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TYMS | P04818 | 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 | |
|---|---|---|---|---|
| SCHEMBL8800454 | 0.90 | MBOAT4 (0.49) | MBOAT4P2RX3KDM4EALDH1A1USP28 | |
| SCHEMBL9227836 | 0.78 | DHFR (0.57) | DHFRTYMS | |
| SCHEMBL8801744 | 0.76 | DHFR (0.45) | MBOAT4ALDH1A1DHFR | |
| SCHEMBL9844996 | 0.75 | DHFR (0.62) | DHFRTYMS | |
| SCHEMBL9046718 | 0.75 | TYMS (0.54) | MBOAT4P2RX3DHFRTYMS | |
| SCHEMBL7660756 | 0.72 | P2RX3 (0.47) | MBOAT4P2RX3KDM4EALDH1A1DHFR | |
| SCHEMBL1728929 | 0.70 | DAO (0.40) | MBOAT4P2RX3DAO | |
| SCHEMBL9045691 | 0.68 | TYMS (0.48) | DHFRTYMS | |
| Hydrochloric Acid SCHEMBL7495722 | 0.68 | NOS1 (0.65) | P2RX3KDM4EALDH1A1 | |
| SCHEMBL8802138 | 0.68 | NAMPT (0.63) | MBOAT4DHFRTYMS |
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 |
|---|---|---|---|---|---|---|---|
| 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 |