Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.36 |
| ▸ | THRB | P10828 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19090405 | 0.81 | HTT (0.42) | ELANEKMT2AKDM4EALDH1A1GAA | |
| SCHEMBL19090327 | 0.78 | KMT2A (0.51) | HPGDCYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL19090312 | 0.78 | MEN1 (0.49) | ELANEHPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19090596 | 0.76 | KMT2A (0.34) | HPGDKMT2ATHRBKDM4EALDH1A1 | |
| SCHEMBL19090309 | 0.76 | LMNA (0.40) | ELANEHPGDKMT2AKDM4EALDH1A1 | |
| SCHEMBL21389561 | 0.71 | BRD4 (0.56) | ELANEHPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19090407 | 0.69 | P2RX3 (0.36) | HPGDKMT2ATHRBKDM4EALDH1A1 | |
| SCHEMBL28874520 | 0.66 | HPGD (0.66) | ELANEHPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19090319 | 0.66 | BRD4 (0.46) | HPGDKMT2AKDM4EALDH1A1GAA | |
| SCHEMBL21389530 | 0.65 | BRD4 (0.56) | ELANEHPGDCYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017114843-A1 | XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS | INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) | 2017-07-06 | — | — | WO | disclosed |