Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.78 |
| ▸ | HTT | P42858 | 1/20 | 0.78 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.65 |
| ▸ | CSF1R | P07333 | 1/20 | 0.65 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.65 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11385904 | 0.99 | DHFR (0.76) | DHFRHTTNTRK1CSF1RNTRK3 | |
| SCHEMBL9654048 | 0.90 | DHFR (0.78) | DHFRHTTNTRK1CSF1RNTRK3 | |
| Bromide SCHEMBL10488914 | 0.88 | DHFR (0.76) | DHFRHTTNTRK1CSF1RNTRK3 | |
| Hydrochloric Acid SCHEMBL11391196 | 0.88 | DHFR (0.76) | DHFRHTTNTRK1CSF1RNTRK3 | |
| Diaveridine SCHEMBL29527560 | 0.88 | DHFR (1.00) | DHFRHTTNTRK1CSF1RNTRK3 | |
| Diaveridine SCHEMBL93896 | 0.88 | DHFR (1.00) | DHFRHTTNTRK1CSF1RNTRK3 | |
| SCHEMBL11385033 | 0.86 | DHFR (0.65) | DHFRHTT | |
| SCHEMBL7126736 | 0.84 | DHFR (0.78) | DHFRHTTNTRK1CSF1RNTRK3 | |
| SCHEMBL9830386 | 0.84 | DHFR (0.82) | DHFRHTTNTRK1CSF1RNTRK3 | |
| SCHEMBL31656497 | 0.83 | DHFR (0.82) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0231888-B1 | SUBSTITUTED 2,4-DIAMINO-5-BENZYL PYRIMIDINES, THEIR PREPARATION AND THEIR USE AS MEDICINES HAVING AN ANTIMICROBIAN ACTIVITY | Fatol Arzneimittel GmbH (DE) | 1992-12-30 | — | — | EP | disclosed |
| US-4912112-A | Substituted 2,4-diamino-5-benzylpyrimidines, their preparation and their use as medicaments with an antimicrobial activity | SAARSTICKSTOFF-FATOL GMBH CHEM.-PHARM. FABRIK (DE) | 1990-03-27 | — | — | US | disclosed |
| EP-0231888-A2 | Substituted 2,4-diamino-5-benzyl pyrimidines, their preparation and their use as medicines having an antimicrobian activity | Fatol Arzneimittel GmbH (DE) | 1987-08-12 | — | — | EP | disclosed |
| US-4258045-A | 2,4-DIAMINO-5-((ARYLALKOXY)BENZYL)-PYRIMIDINES AS ANTIBACTERIAL, ANTIPROTOZOAL AND ANTITUMOR AGENTS | MERCK & CO., INC. (US) | 1981-03-24 | — | — | US | disclosed |