Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 6/20 | 0.44 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | IRAK1 | P51617 | 3/20 | 0.38 |
| ▸ | SYK | P43405 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30844941 | 0.82 | PARP1 (0.53) | IRAK4LIMK1PARP1IRAK1KDM4E | |
| SCHEMBL19555042 | 0.82 | PARP1 (0.53) | IRAK4LIMK1PARP1IRAK1KDM4E | |
| Hydrochloric Acid SCHEMBL30845090 | 0.81 | PARP1 (0.51) | IRAK4LIMK1PARP1IRAK1KDM4E | |
| SCHEMBL29560247 | 0.80 | KDM4E (0.48) | IRAK4LIMK1IRAK1KDM4EALDH1A1 | |
| SCHEMBL7114666 | 0.80 | KDM4E (0.48) | IRAK4LIMK1IRAK1KDM4EALDH1A1 | |
| SCHEMBL17023631 | 0.79 | IRAK4 (0.49) | IRAK4LIMK1PARP1IRAK1SYK | |
| SCHEMBL30845404 | 0.75 | IRAK4 (0.55) | IRAK4LIMK1IRAK1SYKKDM4E | |
| SCHEMBL8597003 | 0.75 | IKBKB (0.41) | LIMK1KDM4EALDH1A1HSD17B10NAPRT | |
| SCHEMBL8440763 | 0.75 | TDP1 (0.43) | IRAK4LIMK1ALDH1A1HDAC3HDAC4 | |
| Trifluoroacetic Acid SCHEMBL30844916 | 0.74 | L3MBTL1 (0.50) | IRAK4LIMK1PARP1IRAK1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0581106-B1 | Substituted aminothienopyridines, a process for their preparation and their use as medicaments | HOECHST MARION ROUSSEL INC (US) | 1998-05-20 | — | — | EP | disclosed |