Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 9/20 | 0.75 |
| ▸ | TYMS | P04818 | 5/20 | 0.75 |
| ▸ | GART | P22102 | 7/20 | 0.66 |
| ▸ | FOLR1 | P15328 | 5/20 | 0.66 |
| ▸ | SLC46A1 | Q96NT5 | 5/20 | 0.66 |
| ▸ | SLC19A1 | P41440 | 4/20 | 0.66 |
| ▸ | FOLR2 | P14207 | 3/20 | 0.66 |
| ▸ | ATIC | P31939 | 2/20 | 0.66 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.66 |
| ▸ | FRK | P42685 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL8997255 | 1.00 | DHFR (0.75) | DHFRTYMSGARTFOLR1SLC46A1 | |
| SCHEMBL9223619 | 0.97 | DHFR (0.70) | DHFRTYMSGARTFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL7848273 | 0.95 | DHFR (0.83) | DHFRTYMSGARTFOLR1SLC46A1 | |
| Pemetrexed SCHEMBL12022769 | 0.95 | DHFR (0.83) | DHFRTYMSGARTFOLR1SLC46A1 | |
| SCHEMBL5300564 | 0.92 | DHFR (0.76) | DHFRTYMSGARTFOLR1SLC46A1 | |
| SCHEMBL7835435 | 0.92 | DHFR (0.76) | DHFRTYMSGARTFOLR1SLC46A1 | |
| SCHEMBL9227343 | 0.91 | DHFR (0.78) | DHFRTYMSGARTFOLR1SLC46A1 | |
| SCHEMBL9227108 | 0.91 | DHFR (0.78) | DHFRTYMSGARTFOLR1SLC46A1 | |
| SCHEMBL9085671 | 0.91 | DHFR (0.75) | DHFRTYMSGARTFOLR1SLC46A1 | |
| SCHEMBL8997183 | 0.90 | DHFR (0.76) | DHFRTYMSGARTFOLR1SLC46A1 |
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 13 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-0549886-B1 | Process for the preparation of pyrrolo[2,3-d]pyrimidines | UNIV PRINCETON (US) | 1996-10-30 | — | — | EP | disclosed |
| 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-5496946-A | Production of pyrrolopyrimidines and intermediates therefor | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-03-05 | — | — | US | disclosed |
| US-5349064-A | Production of pyrrolopyrimidines | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-09-20 | — | — | US | disclosed |
| US-5296600-A | Antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-03-22 | — | — | US | disclosed |
| US-5254687-A | Process for the preparation of pyrrolo[2,3-d]pyrimidines | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1993-10-19 | — | — | US | disclosed |
| EP-0549886-A1 | Process for the preparation of pyrrolo[2,3-d]pyrimidines | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1993-07-07 | — | — | EP | 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-0402903-A1 | Production of pyrrolopyrimidines and intermediates therefor | Takeda Chemical Industries, Ltd. (JP) | 1990-12-19 | — | — | EP | disclosed |
| EP-0334636-A2 | Pyrrolopyrimidine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-09-27 | — | — | EP | disclosed |