Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9129938 | 1.00 | CES2 (0.38) | CES2CES1SMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL11559349 | 1.00 | CES2 (0.38) | CES2CES1SMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL9088517 | 0.98 | CES2 (0.34) | CES2CES1SMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL2326330 | 0.94 | HTT (0.31) | CES2CES1SMN1; SMN2 | |
| SCHEMBL1131625 | 0.90 | — | — | |
| SCHEMBL20684833 | 0.86 | SMN1; SMN2 (0.57) | SMN1; SMN2ALDH1A1HSD11B1TSHR | |
| SCHEMBL15498601 | 0.83 | — | — | |
| SCHEMBL18810573 | 0.83 | CES2 (0.37) | CES2CES1SMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL19386562 | 0.83 | — | — | |
| SCHEMBL11003601 | 0.83 | POLB (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4174458-A | Novel analogues of prostanoic acids not occurring in nature | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-11-13 | — | — | US | disclosed |
| US-4098815-A | BRONCHODILATOR AGENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-07-04 | — | — | US | disclosed |