Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.58 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.58 |
| ▸ | EGFR | P00533 | 2/20 | 0.57 |
| ▸ | RXRB | P28702 | 7/20 | 0.50 |
| ▸ | RXRA | P19793 | 6/20 | 0.50 |
| ▸ | RXRG | P48443 | 3/20 | 0.50 |
| ▸ | ABL1 | P00519 | 2/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.44 |
| ▸ | BCR | P11274 | 2/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL29771943 | 0.86 | ABL1 (0.60) | GABRA1GABRB2EGFRRXRBRXRA | |
| SCHEMBL28857358 | 0.86 | ABL1 (0.60) | GABRA1GABRB2EGFRRXRBRXRA | |
| SCHEMBL5546207 | 0.85 | RXRB (0.53) | EGFRRXRBRXRARXRGKIF11 | |
| SCHEMBL26149393 | 0.85 | RXRB (0.53) | EGFRRXRBRXRARXRGKIF11 | |
| SCHEMBL11646120 | 0.85 | RXRB (0.59) | GABRA1GABRB2EGFRRXRBRXRA | |
| SCHEMBL27757672 | 0.83 | RXRB (0.62) | GABRA1GABRB2EGFRRXRBRXRA | |
| SCHEMBL30096028 | 0.83 | RXRB (0.57) | GABRA1GABRB2EGFRRXRBRXRA | |
| Phenol SCHEMBL7858678 | 0.81 | GABRA1 (0.73) | GABRA1GABRB2EGFRRXRBRXRA | |
| SCHEMBL29561009 | 0.81 | GABRA1 (0.71) | GABRA1GABRB2EGFRRXRBRXRA | |
| SCHEMBL25383551 | 0.80 | RXRA (0.59) | GABRA1GABRB2RXRBRXRARXRG |
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 |
|---|---|---|---|---|---|---|---|
| US-8129538-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-06 | — | — | US | disclosed |
| US-8129538-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-06 | — | — | US | disclosed |