Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 3/20 | 0.43 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7739194 | 0.84 | XDH (0.42) | PTGS1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7738425 | 0.84 | PTGS1 (0.44) | PTGS1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10777241 | 0.81 | PTGS1 (0.48) | PTGS1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12490220 | 0.79 | PTGS1 (0.47) | PTGS1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL25229120 | 0.77 | ALDH1A1 (0.69) | PTGS1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30351280 | 0.77 | ALDH1A1 (0.69) | PTGS1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12064688 | 0.77 | ALDH1A1 (0.61) | PTGS1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2729023 | 0.76 | PTGS1 (0.44) | PTGS1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7739145 | 0.76 | PTGS1 (0.36) | PTGS1MAPTNPC1RAB9AMEN1 | |
| SCHEMBL12448486 | 0.75 | MEN1 (0.47) | PTGS1MAPTNPC1RAB9ASMN1; SMN2 |
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-6416861-B1 | COMBINATORIAL CHEMISTRY | NORTHWESTERN UNIVERSITY | 2002-07-09 | — | — | US | disclosed |
| WO-2000049022-A2 | ORGANOSILICON COMPOUNDS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2000-08-24 | — | — | WO | disclosed |