Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.70 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | FAAH | O00519 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL6946078 | 1.00 | SIGMAR1 (0.70) | SIGMAR1MAPTCYP2C9CYP2C19ATM | |
| SCHEMBL29447340 | 0.82 | SIGMAR1 (0.79) | SIGMAR1MAPTCYP2C19ATMKDM4E | |
| SCHEMBL20238106 | 0.82 | SIGMAR1 (0.79) | SIGMAR1MAPTATMKDM4EALDH1A1 | |
| SCHEMBL29668629 | 0.82 | SIGMAR1 (0.79) | SIGMAR1MAPTATMKDM4EALDH1A1 | |
| SCHEMBL3169406 | 0.82 | SIGMAR1 (0.79) | SIGMAR1MAPTCYP2C19ATMKDM4E | |
| SCHEMBL4726 | 0.82 | SIGMAR1 (0.68) | SIGMAR1GAANPC1RAB9AMEN1 | |
| SCHEMBL29447362 | 0.81 | SIGMAR1 (0.77) | SIGMAR1MAPTCYP2C9CYP2C19ATM | |
| SCHEMBL1890670 | 0.81 | SIGMAR1 (0.77) | SIGMAR1MAPTCYP2C9CYP2C19ATM | |
| SCHEMBL5732659 | 0.81 | SIGMAR1 (0.77) | SIGMAR1MAPTCYP2C9CYP2C19ATM | |
| SCHEMBL8114917 | 0.81 | SIGMAR1 (0.66) | SIGMAR1MAPTATMKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1056744-A1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | Aventis Pharmaceuticals Inc. (US) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043675-A1 | 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMACEUTICALS INC. (US) | 1999-09-02 | — | — | WO | disclosed |