Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2115007 | 0.93 | NPC1 (0.42) | NPC1TP53TSHRNFKB1RAB9A | |
| SCHEMBL27998968 | 0.89 | ALOX5 (0.43) | NPC1TP53TSHRNFKB1RAB9A | |
| SCHEMBL7812292 | 0.80 | CYP1A2 (0.46) | NPC1TSHRRAB9ASMN1; SMN2SCN2A | |
| SCHEMBL7815866 | 0.79 | AHR (0.43) | NPC1RAB9AIDO1ADORA1 | |
| SCHEMBL26567 | 0.77 | MAOA (0.41) | ALOX5MEN1KMT2A | |
| SCHEMBL589437 | 0.77 | MAOA (0.41) | ALOX5MEN1KMT2A | |
| SCHEMBL7180814 | 0.77 | TSHR (0.35) | TSHRSMN1; SMN2ADORA2AADORA1ADORA2B | |
| SCHEMBL7459587 | 0.77 | TAAR1 (0.44) | NPC1TP53TSHRNFKB1RAB9A | |
| SCHEMBL9732385 | 0.77 | TSHR (0.44) | NPC1TP53TSHRNFKB1RAB9A | |
| SCHEMBL7982316 | 0.77 | MEN1 (0.34) | MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1098893-A1 | CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS | MERCK PATENT GmbH (DE) | 2001-05-16 | — | — | EP | disclosed |
| WO-2000004011-A1 | CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS | MERCK PATENT GMBH (DE) | 2000-01-27 | — | — | WO | disclosed |