Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 3/20 | 0.40 |
| ▸ | TYMS | P04818 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8997147 | 0.83 | NAMPT (0.50) | NAMPTDHFRTYMS | |
| SCHEMBL8997191 | 0.82 | DHFR (0.36) | DHFRTYMS | |
| SCHEMBL8997204 | 0.78 | NAMPT (0.38) | NAMPTDHFRTYMS | |
| SCHEMBL8997184 | 0.77 | DHFR (0.68) | DHFRTYMS | |
| SCHEMBL8997168 | 0.76 | DHFR (0.51) | NAMPTDHFRTYMS | |
| Butane SCHEMBL8997159 | 0.75 | DHFR (0.65) | DHFRTYMS | |
| SCHEMBL9564231 | 0.74 | CA12 (0.36) | DHFRTYMS | |
| SCHEMBL8997166 | 0.74 | DHFR (0.40) | NAMPTDHFRTYMS | |
| SCHEMBL9439883 | 0.73 | FOLR1 (0.44) | NAMPT | |
| SCHEMBL9564205 | 0.73 | TYMS (0.43) | DHFRTYMS |
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 5 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 |