Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | KLF5 | Q13887 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.35 |
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 SCHEMBL4860545 | 0.99 | NPC1 (0.39) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL5981930 | 0.89 | PTGS1 (0.38) | ALDH1A1TP53MAPTSMN1; SMN2PTGES2 | |
| Hydrochloric Acid SCHEMBL4860577 | 0.88 | PTGS1 (0.37) | ALDH1A1TP53MAPTSMN1; SMN2PTGES2 | |
| SCHEMBL14513396 | 0.88 | PTGS1 (0.37) | ALDH1A1TP53MAPTSMN1; SMN2PTGES2 | |
| SCHEMBL13987484 | 0.87 | SMN1; SMN2 (0.49) | NPC1RAB9ANFKB1NFKB2RELA | |
| Hydrochloric Acid SCHEMBL5313815 | 0.87 | PTGS1 (0.36) | ALDH1A1TP53MAPTSMN1; SMN2PTGES2 | |
| SCHEMBL13987720 | 0.87 | CA12 (0.36) | NPC1RAB9APTGES2SLC2A1CA1 | |
| SCHEMBL13987486 | 0.87 | TAAR1 (0.42) | NPC1RAB9AALDH1A1PTGES2SLC2A1 | |
| Hydrochloric Acid SCHEMBL4862663 | 0.86 | SMN1; SMN2 (0.48) | NPC1RAB9ANFKB1NFKB2RELA | |
| Hydrochloric Acid SCHEMBL4857039 | 0.86 | TAAR1 (0.42) | ALDH1A1PTGES2SLC2A1CA1CA2 |
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 |