Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.58 |
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | CA7 | P43166 | 2/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28625595 | 1.00 | CA1 (0.58) | CA1CA2CA7CA9CYP1A2 | |
| SCHEMBL397022 | 0.84 | CA1 (0.78) | CA1CA2CA7CA9CYP1A2 | |
| SCHEMBL10098451 | 0.84 | SLC1A1 (0.54) | CA1CA2CA7CA9CYP1A2 | |
| SCHEMBL16103748 | 0.84 | SLC1A1 (0.54) | CA1CA2CA7CA9CYP1A2 | |
| SCHEMBL16250356 | 0.84 | ALDH1A1 (0.61) | CA1CA2CA7CA9CYP2D6 | |
| SCHEMBL16248453 | 0.83 | CA1 (0.57) | CA1CA2CA7CA9CYP1A2 | |
| SCHEMBL375857 | 0.81 | CYP1A2 (0.56) | CYP1A2SMN1; SMN2LMNAKDM4ECYP2D6 | |
| SCHEMBL16476537 | 0.81 | CYP1A2 (0.56) | CYP1A2SMN1; SMN2LMNAKDM4ECYP2D6 | |
| SCHEMBL20640633 | 0.80 | CYP1A2 (0.47) | CA1CA2CA7CA9CYP1A2 | |
| SCHEMBL8191319 | 0.80 | CA1 (0.54) | CA1CA2CA7CA9CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108473497-B | EP4 antagonists | 卫材R&D 管理有限公司 | 2021-09-10 | — | — | CN | disclosed |