Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Piritrexim. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR known ✓ | P00374 | 5/20 | 0.98 |
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 | |
|---|---|---|---|---|
| Piritrexim SCHEMBL29365922 | 0.99 | DHFR (1.00) | DHFR | |
| Piritrexim SCHEMBL29462191 | 0.99 | DHFR (1.00) | DHFR | |
| Piritrexim SCHEMBL8124 | 0.99 | DHFR (1.00) | DHFR | |
| Piritrexim SCHEMBL28201443 | 0.91 | DHFR (0.80) | DHFR | |
| Piritrexim SCHEMBL135624 | 0.88 | DHFR (0.79) | DHFR | |
| SCHEMBL10644572 | 0.87 | DHFR (0.78) | DHFR | |
| SCHEMBL10644399 | 0.87 | DHFR (0.78) | DHFR | |
| Trimetrexate SCHEMBL6013903 | 0.83 | DHFR (0.70) | DHFR | |
| SCHEMBL11006578 | 0.82 | DHFR (0.71) | DHFR | |
| SCHEMBL10465187 | 0.79 | DHFR (0.67) | DHFR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0268377-B1 | GLUTAMIC ACID DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-03-18 | — | — | EP | disclosed |
| US-5019577-A | Novel compounds and use | BURROUGHS WELCOME CO. (US) | 1991-05-28 | — | — | US | disclosed |
| EP-0409382-A1 | Glutamic acid derivatives | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-01-23 | — | — | EP | disclosed |
| WO-1990014340-A1 | GLUTAMIC ACID DERIVATIVES | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-11-29 | — | — | WO | disclosed |
| US-4971973-A | Antitumor agents from polyglutamic acid modified with n- 4- 3-(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl!propoxyl!benzoyl -glutamic acid | BURROUGHS WELLCOME CO. (US) | 1990-11-20 | — | — | US | disclosed |
| US-4940713-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1990-07-10 | — | — | US | disclosed |
| US-4921836-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1990-05-01 | — | — | US | disclosed |
| EP-0341837-A2 | Glutamic acid derivatives | THE WELLCOME FOUNDATION LIMITED (GB) | 1989-11-15 | — | — | EP | disclosed |
| US-4880812-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-11-14 | — | — | US | disclosed |