Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 6/20 | 0.54 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.54 |
| ▸ | CASP6 | P55212 | 1/20 | 0.45 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.45 |
| ▸ | TUBB | P07437 | 1/20 | 0.45 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.45 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.45 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.45 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.45 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.45 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.45 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.45 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.45 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.45 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.45 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.45 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.45 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CCR3 | P51677 | 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 | |
|---|---|---|---|---|
| SCHEMBL31585796 | 0.89 | HCRTR1 (0.50) | HCRTR1HCRTR2CASP6TUBB4ATUBB | |
| SCHEMBL11897021 | 0.89 | HCRTR1 (0.50) | HCRTR1HCRTR2CASP6TUBB4ATUBB | |
| SCHEMBL27900604 | 0.87 | HCRTR1 (0.51) | HCRTR1HCRTR2CASP6TUBB4ATUBB | |
| SCHEMBL27870871 | 0.81 | BTK (0.48) | HCRTR1HCRTR2TUBB4ATUBBTUBA3C | |
| SCHEMBL17232071 | 0.80 | CASP6 (0.59) | HCRTR1HCRTR2CASP6METAP1METAP2 | |
| SCHEMBL27854353 | 0.79 | NPC1 (0.45) | HCRTR1HCRTR2CASP6RAB9AKMT2A | |
| SCHEMBL9202323 | 0.79 | KDM4E (0.50) | HCRTR1HCRTR2METAP1LMNAMAPT | |
| SCHEMBL8323880 | 0.78 | HCRTR1 (0.52) | HCRTR1HCRTR2CASP6TUBB4ATUBB | |
| SCHEMBL29899091 | 0.78 | GRM5 (0.49) | HCRTR1HCRTR2CASP6SQORLMNA | |
| SCHEMBL27900600 | 0.78 | HCRTR1 (0.58) | HCRTR1HCRTR2RAB9AKMT2ACCR1 |
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 3 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 |
| CN-102471314-A | Spiro amino compounds suitable for the treatment of inter alia sleep disorders and drug addiction | ROTTAPHARM SPA | 2012-05-23 | — | — | CN | disclosed |