Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 5/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 7/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9440941 | 0.83 | SIRT2 (0.56) | NOTUMLTA4HS1PR1S1PR3SIRT2 | |
| SCHEMBL5999162 | 0.82 | S1PR1 (0.42) | LTA4HS1PR1ADRB2ADRB1ADRB3 | |
| SCHEMBL2056285 | 0.82 | S1PR1 (0.51) | NOTUMLTA4HS1PR1S1PR3ADRB2 | |
| SCHEMBL203844 | 0.82 | LTA4H (0.47) | NOTUMLTA4HS1PR1S1PR3SIRT2 | |
| SCHEMBL4142338 | 0.81 | NOTUM (0.49) | NOTUMS1PR1ADRB2ADRB1ADRB3 | |
| SCHEMBL13732790 | 0.79 | S1PR1 (0.54) | LTA4HS1PR1S1PR3MEN1ALDH1A1 | |
| SCHEMBL5639322 | 0.78 | ENPP3 (0.59) | LTA4HS1PR1S1PR3ADRB2ADRB1 | |
| SCHEMBL17887308 | 0.78 | LTA4H (0.44) | NOTUMLTA4HS1PR1S1PR3MEN1 | |
| SCHEMBL9441026 | 0.78 | TSHR (0.58) | S1PR1S1PR3KMOALDH1A1MAPT | |
| SCHEMBL9440535 | 0.77 | LTA4H (0.43) | NOTUMLTA4HS1PR1S1PR3SIRT2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0220573-B1 | HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 1991-12-11 | — | — | EP | disclosed |
| US-4774253-A | ETHER,-ACIDS, ESTERS OR AMIDES | HOFFMANN-LA ROCHE INC. (US) | 1988-09-27 | — | — | US | disclosed |
| EP-0220573-A1 | Heterocyclic compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1987-05-06 | — | — | EP | disclosed |