Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.55 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2308348 | 0.85 | DHFR (0.53) | DHFRKDM4EADORA2AADORA1GSTP1 | |
| SCHEMBL30556294 | 0.85 | DHFR (1.00) | DHFRKDM4EADORA2AADORA1GSTP1 | |
| SCHEMBL28342224 | 0.85 | DHFR (1.00) | DHFRKDM4EADORA2AADORA1GSTP1 | |
| SCHEMBL27735106 | 0.77 | FGFR1 (0.49) | DHFRADORA2AADORA1NPC1ALDH1A1 | |
| SCHEMBL28060062 | 0.77 | ADORA2A (0.48) | DHFRKDM4EADORA2AADORA1CYP1A2 | |
| SCHEMBL27974551 | 0.75 | DHFR (0.49) | DHFRKDM4EADORA2AADORA1MAPT | |
| SCHEMBL26674961 | 0.74 | HTR3A (0.49) | DHFRKDM4EADORA2AADORA1CYP1A2 | |
| SCHEMBL13327725 | 0.74 | CYP1A2 (0.58) | DHFRKDM4EADORA2AADORA1GSTP1 | |
| SCHEMBL1388587 | 0.74 | DHFR (0.60) | DHFRKDM4EADORA2AADORA1GSTP1 | |
| SCHEMBL31023416 | 0.74 | CYP1A2 (0.58) | DHFRKDM4EADORA2AADORA1GSTP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105601573-A | 2-aminopyrimidine compounds as well as pharmaceutical compositions and applications thereof | SHANGHAI INST MATERIA MEDICA CAS | 2016-05-25 | — | — | CN | disclosed |