Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | GRM5 | P41594 | 4/20 | 0.53 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.48 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.48 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.45 |
| ▸ | CCR3 | P51677 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6869808 | 0.91 | SMYD3 (0.56) | — | |
| SCHEMBL24359879 | 0.91 | NPC1 (0.49) | NPC1RAB9AGRM5MCHR1HPGD | |
| SCHEMBL16236344 | 0.88 | SMYD3 (0.51) | NPC1RAB9AGRM5MCHR1HPGD | |
| SCHEMBL2909582 | 0.85 | RAB9A (0.57) | NPC1RAB9AHPGDMEN1KMT2A | |
| SCHEMBL16236792 | 0.84 | CACNA1H (0.47) | NPC1RAB9AGRM5MCHR1HPGD | |
| SCHEMBL1116603 | 0.82 | GRM5 (0.77) | NPC1RAB9AGRM5MEN1KMT2A | |
| SCHEMBL23360960 | 0.81 | NPC1 (0.58) | NPC1RAB9AGRM5HPGDMEN1 | |
| SCHEMBL23385296 | 0.81 | NPC1 (0.58) | NPC1RAB9AGRM5HPGDMEN1 | |
| SCHEMBL30590268 | 0.81 | SMYD3 (0.63) | GRM5HPGDTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL15219382 | 0.80 | NPC1 (0.62) | NPC1RAB9AGRM5HPGDMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1501830-B1 | 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES | ACTELION PHARMACEUTICALS LTD (CH) | 2011-10-05 | — | — | EP | claimed |
| EP-1786814-B1 | BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-03-31 | — | — | EP | claimed |