Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.63 |
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.60 |
| ▸ | RELA | Q04206 | 1/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.59 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.59 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.59 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.59 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.59 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.59 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL8618595 | 0.86 | NPC1 (0.67) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL8614872 | 0.85 | KMT2A (0.57) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL8966355 | 0.84 | SMN1; SMN2 (0.60) | SMN1; SMN2HDAC3HDAC4HDAC1HDAC7 | |
| Hydrochloric Acid SCHEMBL8620230 | 0.84 | KMT2A (0.56) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL8620519 | 0.83 | NPC1 (0.55) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL8516755 | 0.82 | SMN1; SMN2 (0.90) | SMN1; SMN2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL8617471 | 0.82 | NPC1 (0.68) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL8619134 | 0.82 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL8615169 | 0.81 | KDM4E (0.58) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| Hydrochloric Acid SCHEMBL8618623 | 0.81 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 |
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 |