Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.34 |
| ▸ | WNT3A | P56704 | 2/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4859092 | 0.99 | NPC1 (0.39) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL5982479 | 0.90 | PTGS1 (0.39) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL4861300 | 0.89 | NPC1 (0.41) | NPC1NFKB1RAB9ANFKB2RELA | |
| Hydrochloric Acid SCHEMBL4859445 | 0.89 | PTGS1 (0.39) | NPC1NFKB1RAB9ANFKB2RELA | |
| Hydrochloric Acid SCHEMBL4860480 | 0.87 | CA12 (0.35) | AOC3CTNNB1WNT3ACA1CA2 | |
| SCHEMBL4861424 | 0.87 | NPC1 (0.38) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL13988042 | 0.85 | ALDH1A1 (0.39) | NPC1RAB9ATP53TDP1ALDH1A1 | |
| SCHEMBL13987487 | 0.85 | NPC1 (0.40) | NPC1NFKB1RAB9ANFKB2RELA | |
| Hydrochloric Acid SCHEMBL4860545 | 0.84 | NPC1 (0.39) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL5983138 | 0.81 | PTGS1 (0.39) | RAB9AALDH1A1LMNAMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7462628-B2 | Preventives/remedies for urinary disturbance | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-12-09 | — | — | US | disclosed |