Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 17/20 | 0.50 |
| ▸ | HCRTR2 | O43614 | 16/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17071985 | 0.88 | HCRTR1 (0.49) | HCRTR1HCRTR2CYP3A4ELANE | |
| SCHEMBL31175258 | 0.88 | KDM4E (0.50) | HCRTR1HCRTR2CYP3A4CYP2C9KMT2A | |
| SCHEMBL1586785 | 0.88 | KDM4E (0.50) | HCRTR1HCRTR2CYP3A4CYP2C9KMT2A | |
| SCHEMBL17069778 | 0.83 | HCRTR1 (0.46) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL14886143 | 0.80 | ALDH1A1 (0.41) | HCRTR1HCRTR2CYP3A4KMT2A | |
| SCHEMBL27883288 | 0.79 | HCRTR1 (0.48) | HCRTR1HCRTR2 | |
| SCHEMBL27883266 | 0.73 | HCRTR1 (0.54) | HCRTR1HCRTR2CYP3A4ELANECYP2C9 | |
| SCHEMBL14951333 | 0.72 | P2RX7 (0.36) | HCRTR1HCRTR2CYP3A4KMT2A | |
| SCHEMBL14886142 | 0.72 | ACHE (0.43) | HCRTR1HCRTR2CYP3A4KMT2A | |
| SCHEMBL24013355 | 0.71 | HCRTR1 (0.36) | HCRTR1HCRTR2CYP3A4KMT2A |
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 |