Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL29633627 | 1.00 | TSHR (0.51) | TSHRPOLBALOX15HTTBRD4 | |
| SCHEMBL29633564 | 0.87 | KDM4E (0.43) | TSHRHTTCREBBPL3MBTL1TDP1 | |
| SCHEMBL29633638 | 0.84 | TSHR (0.59) | TSHRPOLBALOX15HTTMRGPRX4 | |
| SCHEMBL20762948 | 0.81 | TSHR (0.66) | TSHRPOLBALOX15HTTL3MBTL1 | |
| SCHEMBL24488812 | 0.81 | TSHR (0.47) | TSHRPOLBALOX15HTTMRGPRX4 | |
| SCHEMBL12837004 | 0.76 | TPMT (0.46) | POLBL3MBTL1TDP1HSD17B10CA12 | |
| SCHEMBL9046507 | 0.74 | TSHR (0.65) | TSHRPOLBALOX15HTTCASP6 | |
| SCHEMBL1515929 | 0.73 | TSHR (0.59) | TSHRPOLBALOX15HTTMRGPRX4 | |
| SCHEMBL9048230 | 0.73 | CA12 (0.62) | TSHRPOLBALOX15HTTMRGPRX4 | |
| SCHEMBL504156 | 0.73 | TSHR (0.70) | TSHRPOLBALOX15HTTMEN1 |
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-114206832-A | Urea compounds antagonizing LPA1 receptor | 大正制药株式会社 | 2022-03-18 | — | — | CN | disclosed |
| WO-2021020429-A1 | UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR | 大正製薬株式会社 | 2021-02-04 | — | — | WO | disclosed |
| WO-2021020429-A1 | UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR | 大正製薬株式会社 | 2021-02-04 | — | — | WO | disclosed |