Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 8/20 | 0.64 |
| ▸ | SCN1A | P35498 | 2/20 | 0.60 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.60 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | BRD4 | O60885 | 1/20 | 0.59 |
| ▸ | NQO2 | P16083 | 1/20 | 0.50 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.49 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8890347 | 1.00 | NPY5R (0.64) | NPY5RSCN1ASCN2ASCN3ACYP1A2 | |
| SCHEMBL29695254 | 0.96 | NPY5R (0.58) | NPY5RSCN1ASCN2ASCN3ACYP1A2 | |
| SCHEMBL12502091 | 0.88 | CCR1 (0.58) | NPY5RBRD4HTR7 | |
| SCHEMBL5664219 | 0.84 | PRKCG (0.60) | CYP3A4BRD4MEN1TP53KMT2A | |
| SCHEMBL8893081 | 0.83 | NPY5R (0.72) | NPY5RSCN1ASCN2ASCN3ACYP1A2 | |
| SCHEMBL8891919 | 0.82 | CA12 (0.52) | NPY5RNQO2CA12CA1 | |
| SCHEMBL12502222 | 0.81 | HDAC4 (0.61) | CYP3A4CYP2C19HSD17B10BRD4TP53 | |
| SCHEMBL8900540 | 0.81 | NPY5R (0.53) | NPY5RNQO2CA12CA1 | |
| SCHEMBL14748139 | 0.81 | BRD4 (0.48) | NPY5RCYP3A4ALDH1A1BRD4CA12 | |
| SCHEMBL8901368 | 0.81 | ACACB (0.66) | NPY5RALDH1A1CA12CA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997020821-A1 | HETEROARYL DERIVATIVES | NOVARTIS AG (CH) | 1997-06-12 | — | — | WO | disclosed |