Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.54 |
| ▸ | RELA | Q04206 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8614910 | 0.87 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2LMNANFKB1 | |
| Hydrochloric Acid SCHEMBL8615441 | 0.86 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2LMNANFKB1 | |
| SCHEMBL8613549 | 0.86 | SMN1; SMN2 (0.55) | NPC1RAB9ASMN1; SMN2LMNANFKB1 | |
| SCHEMBL8617471 | 0.85 | NPC1 (0.68) | NPC1RAB9ASMN1; SMN2LMNANFKB1 | |
| SCHEMBL8613490 | 0.85 | SMN1; SMN2 (0.54) | NPC1RAB9ASMN1; SMN2LMNANFKB1 | |
| Hydrochloric Acid SCHEMBL8616676 | 0.85 | SMN1; SMN2 (0.54) | NPC1RAB9ASMN1; SMN2LMNANFKB1 | |
| SCHEMBL8620519 | 0.84 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2LMNANFKB1 | |
| Hydrochloric Acid SCHEMBL8616815 | 0.83 | SMN1; SMN2 (0.52) | NPC1RAB9ASMN1; SMN2LMNANFKB1 | |
| SCHEMBL8619134 | 0.82 | SMN1; SMN2 (0.54) | NPC1RAB9ASMN1; SMN2LMNANFKB1 | |
| SCHEMBL8618595 | 0.82 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2LMNANFKB1 |
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-5767121-A | ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-16 | — | — | US | disclosed |