Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.47 |
| ▸ | COMT | P21964 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4882169 | 1.00 | CYP2A13 (0.61) | CYP2A13ALDH1A1KDM4EPOLBNPSR1 | |
| SCHEMBL4036908 | 0.84 | ALDH1A1 (0.68) | CYP2A13ALDH1A1KDM4EPOLBNPSR1 | |
| SCHEMBL8108285 | 0.80 | SIGMAR1 (0.64) | CYP2A13ALDH1A1KDM4ENPSR1KMT2A | |
| SCHEMBL5675319 | 0.80 | SIGMAR1 (0.64) | CYP2A13ALDH1A1KDM4ENPSR1KMT2A | |
| SCHEMBL30596550 | 0.79 | KDM4E (0.70) | CYP2A13ALDH1A1KDM4EPOLBMEN1 | |
| SCHEMBL6941394 | 0.77 | CYP2A13 (0.56) | CYP2A13ALDH1A1KDM4EPOLBNPSR1 | |
| SCHEMBL3966949 | 0.76 | CYP2A13 (0.62) | CYP2A13ALDH1A1KDM4EPOLBNPSR1 | |
| SCHEMBL4097834 | 0.76 | CYP2A13 (1.00) | CYP2A13ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL2306473 | 0.76 | CYP2A13 (0.62) | CYP2A13ALDH1A1KDM4EPOLBMEN1 | |
| SCHEMBL4109734 | 0.76 | CYP2A13 (0.62) | CYP2A13ALDH1A1KDM4EPOLBMEN1 |
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 |