Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.50 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
| ▸ | TUBB | P07437 | 1/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28209330 | 0.81 | IRAK4 (0.53) | IRAK4RPS6KA2ROCK2SMN1; SMN2KDM4E | |
| SCHEMBL12684800 | 0.79 | LMNA (0.56) | IRAK4RPS6KA2ROCK2SMN1; SMN2KDM4E | |
| SCHEMBL418190 | 0.76 | SMN1; SMN2 (0.52) | IRAK4SMN1; SMN2KDM4EHTTLMNA | |
| SCHEMBL418792 | 0.75 | NPC1 (0.60) | SMN1; SMN2KDM4ELMNANPC1RAB9A | |
| SCHEMBL25956592 | 0.74 | IRAK4 (0.86) | IRAK4RPS6KA2POLBSMN1; SMN2NPC1 | |
| SCHEMBL19446745 | 0.74 | GRM1 (0.43) | ROCK2MAP3K5SMN1; SMN2NPC1RAB9A | |
| SCHEMBL421032 | 0.73 | SCD (0.58) | SMN1; SMN2KDM4EHTTLMNANPC1 | |
| SCHEMBL2187248 | 0.73 | CSNK1E (0.66) | IRAK4ROCK2POLBSMN1; SMN2KDM4E | |
| SCHEMBL11666980 | 0.71 | TUBB4A (0.57) | IRAK4SMN1; SMN2HTTLMNANPC1 | |
| SCHEMBL15944959 | 0.70 | LPAR2 (0.57) | IRAK4CYP2C9CYP2C19CYP1A2CYP3A4 |
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-7601745-B2 | Heterocyclic NF-kB inhibitors | 4SC AG (DE) | 2009-10-13 | — | — | US | disclosed |