Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6948599 | 1.00 | CHRNA7 (0.36) | CHRNA7HRH3KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL6944358 | 0.98 | HRH3 (0.35) | CHRNA7HRH3ALDH1A1L3MBTL1GNAI3 | |
| SCHEMBL6943611 | 0.98 | HRH3 (0.35) | CHRNA7HRH3ALDH1A1L3MBTL1GNAI3 | |
| SCHEMBL8099737 | 0.98 | HRH3 (0.35) | CHRNA7HRH3ALDH1A1L3MBTL1GNAI3 | |
| SCHEMBL8099695 | 0.95 | HRH3 (0.38) | CHRNA7HRH3KDM4EALDH1A1MAPT | |
| SCHEMBL6941458 | 0.95 | HRH3 (0.38) | CHRNA7HRH3KDM4EALDH1A1MAPT | |
| SCHEMBL6942975 | 0.94 | HRH3 (0.38) | CHRNA7HRH3KDM4EALDH1A1ABCB1 | |
| SCHEMBL8113367 | 0.94 | HRH3 (0.38) | CHRNA7HRH3KDM4EALDH1A1ABCB1 | |
| SCHEMBL8108588 | 0.92 | LTA4H (0.40) | HRH3ALDH1A1GNAI3GNAO1GNAI1 | |
| SCHEMBL6943853 | 0.92 | LTA4H (0.40) | HRH3ALDH1A1GNAI3GNAO1GNAI1 |
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 |