Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 4/20 | 0.62 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.62 |
| ▸ | NAMPT | P43490 | 1/20 | 0.62 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.52 |
| ▸ | NAAA | Q02083 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | CCR3 | P51677 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4633308 | 0.90 | ITGB3 (0.74) | ITGB3ITGA2BACHERAB9ACHRM1 | |
| SCHEMBL7396375 | 0.85 | ITGB3 (0.83) | ITGB3ITGA2BNAMPTCHRM1 | |
| SCHEMBL8391764 | 0.85 | RAB9A (0.58) | NAMPTHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL8395564 | 0.82 | SMN1; SMN2 (0.58) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL8391362 | 0.82 | SMN1; SMN2 (0.62) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL26668519 | 0.82 | ITGB3 (0.67) | ITGB3ITGA2BACHECHRM1 | |
| Hydrochloric Acid SCHEMBL3145082 | 0.82 | NAMPT (0.47) | ITGB3ITGA2BNAMPTHDAC6 | |
| SCHEMBL8391413 | 0.81 | SMN1; SMN2 (0.64) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL8393231 | 0.81 | SMN1; SMN2 (0.64) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL3330915 | 0.81 | SMN1; SMN2 (0.56) | ITGB3ITGA2BNAMPTHDAC3HDAC4 |
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-2011121055-A1 | PYRIDINYL DERIVATIVES COMPRISING A CYANOGUANIDINE OR SQUARIC ACID MOIETY | TOPOTARGET A/S (DK) | 2011-10-06 | — | — | WO | disclosed |