Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 12/20 | 0.36 |
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL8997197 | 0.83 | DHFR (0.37) | DHFRTYMSCA12CA1CA2 | |
| SCHEMBL8997200 | 0.82 | NAMPT (0.42) | DHFRTYMS | |
| SCHEMBL9859911 | 0.74 | FOLR1 (0.36) | DHFR | |
| SCHEMBL9042476 | 0.73 | LMNA (0.34) | DHFRCA12CA1CA2CA9 | |
| SCHEMBL9042572 | 0.70 | MAPT (0.43) | DHFRCA1CA2 | |
| SCHEMBL9039740 | 0.70 | DHFR (0.51) | DHFR | |
| SCHEMBL8997222 | 0.70 | DHFR (0.36) | DHFRCA12CA1CA2CA9 | |
| SCHEMBL9042926 | 0.69 | DHFR (0.41) | DHFRTYMS | |
| SCHEMBL9043791 | 0.69 | LMNA (0.38) | DHFRCA12CA1CA2CA9 | |
| SCHEMBL10556917 | 0.68 | CA12 (0.43) | CA12CA1CA2CA9CA14 |
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 |