Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | UBE2N | P61088 | 1/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8467774 | 1.00 | ABCB1 (0.49) | ABCB1HPGDUBE2NNPY5RCYP1A2 | |
| SCHEMBL8467776 | 1.00 | ABCB1 (0.49) | ABCB1HPGDUBE2NNPY5RCYP1A2 | |
| SCHEMBL16163310 | 0.81 | TRPA1 (0.40) | ABCB1HPGDCYP1A2NPC1RAB9A | |
| SCHEMBL14660173 | 0.81 | TRPA1 (0.40) | ABCB1HPGDCYP1A2NPC1RAB9A | |
| SCHEMBL5169753 | 0.79 | SIGMAR1 (0.41) | ABCB1HPGDCYP1A2CHRM1NPC1 | |
| SCHEMBL5171350 | 0.79 | SIGMAR1 (0.41) | ABCB1HPGDCYP1A2CHRM1NPC1 | |
| SCHEMBL5168408 | 0.79 | SIGMAR1 (0.41) | ABCB1HPGDCYP1A2CHRM1NPC1 | |
| SCHEMBL5171075 | 0.79 | SIGMAR1 (0.41) | ABCB1HPGDCYP1A2CHRM1NPC1 | |
| SCHEMBL7152298 | 0.78 | MTNR1A (0.42) | HPGDCA9ALDH1A1 | |
| SCHEMBL7152295 | 0.78 | MTNR1A (0.42) | HPGDCA9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0963972-A2 | Stereoselective reduction of carbonyl compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1999-12-15 | — | — | EP | disclosed |