Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.42 |
| ▸ | SELE | P16581 | 1/20 | 0.42 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14009163 | 0.89 | ROCK1 (0.51) | ROCK1KMT2ARXFP1S1PR1ICAM1 | |
| SCHEMBL14009349 | 0.89 | ROCK1 (0.46) | ROCK1KMT2ARXFP1S1PR1ICAM1 | |
| SCHEMBL14609432 | 0.88 | ROCK1 (0.45) | ROCK1KMT2ARXFP1S1PR1ICAM1 | |
| SCHEMBL14009070 | 0.88 | RAB9A (0.51) | ROCK1KMT2ARXFP1S1PR1KDM4E | |
| SCHEMBL14008925 | 0.87 | SMN1; SMN2 (0.54) | ROCK1KMT2AICAM1SELEVCAM1 | |
| SCHEMBL14009146 | 0.87 | ROCK1 (0.43) | ROCK1KMT2ARXFP1S1PR1ICAM1 | |
| SCHEMBL14009094 | 0.85 | ROCK1 (0.42) | ROCK1KMT2ARXFP1S1PR1ICAM1 | |
| SCHEMBL14009001 | 0.84 | KDM4E (0.53) | ROCK1KMT2ARXFP1S1PR1KDM4E | |
| SCHEMBL14009176 | 0.84 | ROCK1 (0.41) | ROCK1KMT2ARXFP1S1PR1ICAM1 | |
| SCHEMBL14009108 | 0.83 | SMYD3 (0.53) | ROCK1RXFP1S1PR1SMN1; SMN2KDM4E |
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-2007022258-A1 | NOVEL HIGH AFFINITY THIOPHENE-BASED AND FURAN-BASED KINASE LIGANDS | SCHERING CORPORATION (US) | 2007-02-22 | — | — | WO | disclosed |