Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 2/20 | 0.55 |
| ▸ | HEXB | P07686 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | DHFR | P00374 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL12495995 | 0.88 | HEXA (0.48) | HEXAHEXBMEN1SLC22A1ALDH1A1 | |
| SCHEMBL28043769 | 0.83 | DHFR (0.54) | DHFRADORA2AADORA1DPP4TLR8 | |
| SCHEMBL28043944 | 0.78 | HEXA (0.50) | HEXAHEXBALDH1A1DHFRCYP2D6 | |
| SCHEMBL12368242 | 0.78 | HEXA (0.83) | HEXAHEXBMEN1SLC22A1ALDH1A1 | |
| SCHEMBL6345470 | 0.78 | KMT2A (0.47) | HEXAHEXBMEN1SLC22A1ALDH1A1 | |
| SCHEMBL7380027 | 0.77 | ADORA2A (0.51) | HEXAHEXBMEN1SLC22A1ALDH1A1 | |
| SCHEMBL12495729 | 0.77 | ADORA2A (0.46) | ALDH1A1HSP90AB1ADORA2AADORA1TLR8 | |
| SCHEMBL12495989 | 0.76 | ADORA2A (0.51) | ADORA2AADORA1TLR8GCGR | |
| SCHEMBL28043715 | 0.76 | CYP2D6 (0.52) | DHFRCYP2D6ADRA1AKCNH2 | |
| SCHEMBL16703412 | 0.76 | HEXA (0.51) | HEXAHEXBDHFRCYP2D6DPP4 |
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-105143206-A | Pyrimidine-2,4-diamine derivatives for treatment of cancer | THOMAS HELLEDAYS STIFTELSE F R MEDICINSK FORSKNING | 2015-12-09 | — | — | CN | disclosed |