Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 9/20 | 0.58 |
| ▸ | HCRTR2 | O43614 | 9/20 | 0.58 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | BCR | P11274 | 1/20 | 0.47 |
| ▸ | CCR1 | P32246 | 1/20 | 0.47 |
| ▸ | CCR5 | P51681 | 1/20 | 0.47 |
| ▸ | CCR8 | P51685 | 1/20 | 0.47 |
| ▸ | TACR3 | P29371 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL27900620 | 0.88 | HCRTR1 (0.56) | HCRTR1HCRTR2ABL1BCRCCR1 | |
| SCHEMBL10014733 | 0.81 | HCRTR1 (0.45) | HCRTR1HCRTR2ABL1BCRCCR1 | |
| SCHEMBL29766750 | 0.79 | CCR1 (0.55) | HCRTR1HCRTR2ABL1BCRCCR1 | |
| SCHEMBL16910413 | 0.79 | CCR1 (0.55) | HCRTR1HCRTR2ABL1BCRCCR1 | |
| SCHEMBL503953 | 0.79 | CCR1 (0.55) | HCRTR1HCRTR2ABL1BCRCCR1 | |
| SCHEMBL28802210 | 0.79 | HCRTR1 (0.57) | HCRTR1HCRTR2CCR1CCR5CCR8 | |
| SCHEMBL27870875 | 0.78 | HCRTR1 (0.54) | HCRTR1HCRTR2CCR1CCR5CCR8 | |
| SCHEMBL27854353 | 0.77 | NPC1 (0.45) | HCRTR1HCRTR2NPC1RAB9AKMO | |
| SCHEMBL6924236 | 0.76 | HCRTR1 (1.00) | HCRTR1HCRTR2 | |
| SCHEMBL6130738 | 0.75 | CCR1 (0.50) | HCRTR1HCRTR2ABL1BCRCCR1 |
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 |