Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 6/20 | 0.40 |
| ▸ | TYMS | P04818 | 4/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.33 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.33 |
| ▸ | GART | P22102 | 1/20 | 0.33 |
| ▸ | ATIC | P31939 | 1/20 | 0.33 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.33 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.33 |
| ▸ | FRK | P42685 | 1/20 | 0.33 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8997184 | 0.76 | DHFR (0.68) | DHFRTYMSFOLR2FOLR1GART | |
| Butane SCHEMBL8997159 | 0.75 | DHFR (0.65) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL8997200 | 0.74 | NAMPT (0.42) | DHFRTYMSNAMPT | |
| SCHEMBL6311889 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL8997168 | 0.70 | DHFR (0.51) | DHFRTYMSNAMPTFOLR2FOLR1 | |
| SCHEMBL8997204 | 0.70 | NAMPT (0.38) | DHFRTYMSNAMPT | |
| SCHEMBL9087414 | 0.68 | DHFR (0.67) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL8997180 | 0.68 | DHFR (0.68) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9431289 | 0.68 | DHFR (0.66) | DHFRTYMSFOLR2FOLR1GART | |
| SCHEMBL9397685 | 0.67 | DHFR (0.67) | DHFRTYMSFOLR2FOLR1GART |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4997838-A | Antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-03-05 | — | — | US | claimed |
| 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 |