Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 19/20 | 0.48 |
| ▸ | HCRTR2 | O43614 | 16/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1586067 | 0.88 | ALB (0.50) | HCRTR1HCRTR2CYP1A2KCNH2 | |
| SCHEMBL29628873 | 0.88 | ALB (0.50) | HCRTR1HCRTR2CYP1A2KCNH2 | |
| SCHEMBL16025392 | 0.86 | HCRTR1 (0.49) | HCRTR1HCRTR2CYP1A2KCNH2 | |
| SCHEMBL19484323 | 0.86 | ALDH1A1 (0.52) | HCRTR1HCRTR2CYP1A2KCNH2 | |
| SCHEMBL17071975 | 0.82 | HCRTR1 (0.46) | HCRTR1HCRTR2CYP1A2KCNH2 | |
| SCHEMBL18594639 | 0.82 | HCRTR1 (0.46) | HCRTR1HCRTR2CYP1A2KCNH2 | |
| SCHEMBL17069765 | 0.82 | HCRTR1 (0.46) | HCRTR1HCRTR2CYP1A2KCNH2 | |
| SCHEMBL27900613 | 0.79 | HCRTR1 (0.50) | HCRTR1HCRTR2 | |
| SCHEMBL27058163 | 0.74 | HCRTR1 (0.64) | HCRTR1HCRTR2CYP1A2KCNH2 | |
| SCHEMBL16149931 | 0.73 | HCRTR1 (0.42) | HCRTR1HCRTR2CYP1A2KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102781942-A | Disubstituted octahy-dropyrrolo [3,4-c]pyrroles as orexin receptor modulators | JANSSEN PHARMACEUTICA NV | 2012-11-14 | — | — | CN | claimed |
| CN-102781942-A | Disubstituted octahy-dropyrrolo [3,4-c]pyrroles as orexin receptor modulators | JANSSEN PHARMACEUTICA NV | 2012-11-14 | — | — | CN | disclosed |