Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | USP8 | P40818 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | AGXT | P21549 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2045062 | 0.84 | NPC1 (0.59) | NPC1RAB9AHSD11B1TSHRIDO1 | |
| SCHEMBL2045054 | 0.81 | RAB9A (0.53) | NPC1RAB9AHSD11B1TSHRIDO1 | |
| SCHEMBL2045056 | 0.81 | RAB9A (0.53) | NPC1RAB9AHSD11B1TSHRIDO1 | |
| SCHEMBL2050312 | 0.80 | RAB9A (0.49) | NPC1RAB9AHSD11B1TSHRIDO1 | |
| SCHEMBL2050310 | 0.80 | RAB9A (0.49) | NPC1RAB9AHSD11B1TSHRIDO1 | |
| SCHEMBL2045918 | 0.80 | NPC1 (0.59) | NPC1RAB9AHSD11B1TSHRIDO1 | |
| SCHEMBL7373187 | 0.77 | RAB9A (0.56) | NPC1RAB9AHSD11B1TSHRIDO1 | |
| SCHEMBL9899705 | 0.76 | NPC1 (0.51) | NPC1RAB9AHSD11B1TSHRIDO1 | |
| SCHEMBL10704507 | 0.75 | RAB9A (0.54) | NPC1RAB9AHSD11B1TSHRIDO1 | |
| SCHEMBL9899261 | 0.74 | RAB9A (0.47) | NPC1RAB9AHSD11B1L3MBTL1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003031418-A1 | 3,4-DIHYDRO-1H-NAPHTHALENE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR | CHEIL JEDANG CORPORATION (KR) | 2003-04-17 | — | — | WO | disclosed |