Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 12/20 | 0.76 |
| ▸ | MEN1 | O00255 | 1/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.76 |
| ▸ | ESR1 | P03372 | 1/20 | 0.76 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.76 |
| ▸ | HTR1A | P08908 | 1/20 | 0.76 |
| ▸ | MAPT | P10636 | 1/20 | 0.76 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.76 |
| ▸ | HPGD | P15428 | 1/20 | 0.76 |
| ▸ | MAOA | P21397 | 1/20 | 0.76 |
| ▸ | DRD1 | P21728 | 1/20 | 0.76 |
| ▸ | ACHE | P22303 | 1/20 | 0.76 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.76 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.76 |
| ▸ | PDE4A | P27815 | 1/20 | 0.76 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.76 |
| ▸ | DRD3 | P35462 | 1/20 | 0.76 |
| ▸ | BLM | P54132 | 1/20 | 0.76 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| Trimetrexate SCHEMBL3983 | 0.87 | DHFR (1.00) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL29376841 | 0.87 | DHFR (1.00) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL29403928 | 0.87 | DHFR (1.00) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL10701228 | 0.87 | DHFR (1.00) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL539115 | 0.86 | DHFR (0.86) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL7099831 | 0.86 | DHFR (0.98) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL29906169 | 0.86 | DHFR (0.98) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL7099341 | 0.86 | DHFR (0.98) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL1353376 | 0.86 | DHFR (0.81) | DHFRMEN1ALDH1A1ESR1CHRM2 | |
| Trimetrexate SCHEMBL8035980 | 0.85 | DHFR (0.96) | DHFRMEN1ALDH1A1ESR1CHRM2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5618928-A | USEFUL IN TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1997-04-08 | — | — | US | disclosed |
| EP-0650481-A1 | PYRIMIDINE COMPOUNDS USED IN THE THERAPY | BTG INTERNATIONAL LIMITED (GB) | 1995-05-03 | — | — | EP | disclosed |
| WO-1994002469-A1 | PYRIMIDINE COMPOUNDS USED IN THE THERAPY | BRITISH TECHNOLOGY GROUP LTD. (GB) | 1994-02-03 | — | — | WO | disclosed |