Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 6/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9068196 | 0.86 | DHFR (0.57) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL12692389 | 0.80 | DHFR (0.55) | DHFR | |
| SCHEMBL9765081 | 0.79 | DHFR (0.56) | DHFR | |
| SCHEMBL9765074 | 0.79 | DHFR (0.56) | DHFR | |
| SCHEMBL10697242 | 0.79 | DHFR (0.63) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9313700 | 0.77 | DHFR (0.69) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL11439137 | 0.75 | DHFR (0.65) | DHFR | |
| SCHEMBL10963943 | 0.75 | DHFR (0.65) | DHFR | |
| SCHEMBL10963951 | 0.75 | DHFR (0.65) | DHFR | |
| SCHEMBL8323452 | 0.75 | DHFR (0.52) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5536724-A | Antiinflammatory and antineoplastic 5-deazaaminopterins and 5,10-dideazaaminopterins | SRI INTERNATIONAL (US) | 1996-07-16 | — | — | US | disclosed |
| EP-0638079-A1 | DEAZAAMINOPTERINS FOR TREATMENT OF INFLAMMATION | SRI INTERNATIONAL (US) | 1995-02-15 | — | — | EP | disclosed |
| WO-1993022312-A1 | DEAZAAMINOPTERINS FOR TREATMENT OF INFLAMMATION | SRI INTERNATIONAL (US) | 1993-11-11 | — | — | WO | disclosed |