Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 2/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | CCR8 | P51685 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30437476 | 0.85 | SLC7A5 (0.44) | SLC7A5HPGDSHSD17B1HSD17B2GABRG2 | |
| SCHEMBL21056029 | 0.85 | SLC7A5 (0.44) | SLC7A5HPGDSHSD17B1HSD17B2GABRG2 | |
| SCHEMBL410498 | 0.85 | GABRG2 (0.54) | CYP3A4CYP2A6GABRG2GABRB3GABRA5 | |
| SCHEMBL3067384 | 0.84 | NR1I2 (0.41) | CYP3A4CYP2A6CCR1CCR5CCR8 | |
| SCHEMBL1854635 | 0.81 | DHODH (0.48) | SLC7A5DHODH | |
| SCHEMBL3053335 | 0.81 | BAZ2B (0.44) | NR1I2CYP2C9 | |
| SCHEMBL24365554 | 0.80 | LDHA (0.56) | CYP3A4CYP2A6HPGDSCCR1CCR5 | |
| SCHEMBL31145138 | 0.80 | LDHA (0.56) | CYP3A4CYP2A6HPGDSCCR1CCR5 | |
| SCHEMBL8111051 | 0.80 | SLC7A5 (0.48) | SLC7A5HSD17B1HSD17B2HSD17B10DHODH | |
| SCHEMBL3070661 | 0.79 | NR1I2 (0.41) | CYP3A4CYP2A6CCR1CCR5CCR8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113912617-A | Substituted tricycles and methods of use | 艾伯维公司 | 2022-01-11 | — | — | CN | disclosed |
| CN-108349930-B | Substituted tricycles and methods of use | 艾伯维公司 | 2021-10-29 | — | — | CN | disclosed |
| CN-108349930-A | Substituted Tricycles and Methods of Use | 艾伯维公司 | 2018-07-31 | — | — | CN | disclosed |