Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL582819 | 0.82 | SIGMAR1 (0.32) | LMNACYP3A4GABRA1TSHRGABRG2 | |
| SCHEMBL435752 | 0.82 | SIGMAR1 (0.38) | LMNACYP3A4GABRA1TSHRGABRG2 | |
| SCHEMBL21623674 | 0.81 | SIGMAR1 (0.31) | LMNACYP3A4GABRA1TSHRGABRG2 | |
| SCHEMBL21358779 | 0.79 | SIGMAR1 (0.45) | SLC6A2 | |
| SCHEMBL3480504 | 0.79 | SIGMAR1 (0.31) | SLC6A2 | |
| SCHEMBL1696717 | 0.78 | OPRD1 (0.35) | LMNACYP3A4GABRA1TSHRGABRG2 | |
| Hydrochloric Acid SCHEMBL5865347 | 0.76 | OPRD1 (0.35) | LMNACYP3A4GABRA1TSHRGABRG2 | |
| Sulfuric Acid SCHEMBL29036121 | 0.76 | OPRD1 (0.35) | LMNACYP3A4GABRA1TSHRGABRG2 | |
| SCHEMBL28100872 | 0.75 | OPRD1 (0.32) | SLC6A2 | |
| Trifluoromethanesulfonic Acid SCHEMBL29036128 | 0.73 | OPRD1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107074851-B | As αvβ6Naphthyridine derivatives of integrin antagonists for the treatment of e.g. fibrotic diseases | 葛兰素史密斯克莱知识产权发展有限公司 | 2020-01-10 | — | — | CN | disclosed |
| CN-107074851-A | It is used as αvβ6Integrin antagonists are used for the 7-naphthyridine derivatives for treating such as fibrotic conditions | 葛兰素史密斯克莱知识产权发展有限公司 | 2017-08-18 | — | — | CN | disclosed |