Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28629683 | 0.83 | SLC6A2 (0.49) | HSD17B10KDM4EALDH1A1HPGDNPC1 | |
| SCHEMBL9186673 | 0.82 | ESR1 (0.46) | ESR1ESR2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL6113210 | 0.77 | ESR1 (0.49) | ESR1ESR2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL3397248 | 0.77 | L3MBTL1 (0.40) | HSD17B10KDM4EALDH1A1HPGDTRPA1 | |
| SCHEMBL9864607 | 0.76 | ESR1 (0.52) | ESR1ESR2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL310386 | 0.76 | KMT2A (0.52) | ESR1ESR2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL29515031 | 0.76 | KMT2A (0.52) | ESR1ESR2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL30624858 | 0.76 | LMNA (0.44) | ESR1ESR2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL8173248 | 0.76 | ESR1 (0.41) | ESR1ESR2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL28718756 | 0.75 | ESR1 (0.42) | ESR1ESR2TAS1R3TAS1R1TAS1R2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |