Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10623710 | 0.85 | CSNK1G1 (0.44) | CES1SRD5A1MAPTNPC1RAB9A | |
| SCHEMBL9471369 | 0.85 | CES1 (0.35) | CES1SRD5A1MAPTNPC1PARP1 | |
| SCHEMBL9471120 | 0.83 | GSK3B (0.37) | CES1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8938695 | 0.70 | CES1 (0.41) | CES1SRD5A1MAPTPARP1CA12 | |
| SCHEMBL10542544 | 0.70 | MAPT (0.41) | SRD5A1MAPTACHECA12CA1 | |
| SCHEMBL9471316 | 0.68 | L3MBTL1 (0.39) | CES1SRD5A1SMN1; SMN2GAAMEN1 | |
| SCHEMBL9470729 | 0.68 | ROCK1 (0.34) | CES1SRD5A1MAPTPARP1GAA | |
| SCHEMBL9470717 | 0.68 | ROCK1 (0.34) | CES1SRD5A1MAPTPARP1GAA | |
| SCHEMBL8938744 | 0.67 | GSK3B (0.45) | CES1MAPTCA12CA1CA2 | |
| SCHEMBL10620893 | 0.67 | HRH4 (0.50) | NFKB1MAPK1DRD2DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5189161-A | Analgesics | HOECHST ROUSSEL PHARMACEUTICALS INC. (US) | 1993-02-23 | — | — | US | disclosed |
| US-5015738-A | Analgesics | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1991-05-14 | — | — | US | disclosed |
| US-4983601-A | Analgesics | HOECHST-ROUSSEL PHARMACEUTICAL INC. (US) | 1991-01-08 | — | — | US | disclosed |