Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | DCK | P27707 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL885848 | 0.93 | RIPK1 (0.47) | KDRRIPK1DCKMAPK14CYP4F2 | |
| SCHEMBL885847 | 0.92 | RIPK1 (0.48) | RIPK1DCKCYP4F2CYP4A11MCHR1 | |
| SCHEMBL2060255 | 0.86 | RIPK1 (0.47) | KDRRIPK1DCKMAPK14MCHR1 | |
| SCHEMBL2060253 | 0.85 | RIPK1 (0.48) | RIPK1DCKMAPK14MCHR1ALDH1A1 | |
| SCHEMBL2060127 | 0.85 | KDR (0.54) | KDRRIPK1MAPK14CYP4F2CYP4A11 | |
| SCHEMBL2060124 | 0.84 | RIPK1 (0.47) | KDRRIPK1MAPK14MCHR1MAPK11 | |
| SCHEMBL2060044 | 0.80 | RIPK1 (0.51) | KDRRIPK1MAPK14MCHR1SMYD3 | |
| SCHEMBL2060043 | 0.79 | RIPK1 (0.52) | RIPK1DCKMCHR1GRM5SMYD3 | |
| SCHEMBL885792 | 0.77 | HDAC1 (0.43) | KDRRIPK1MAPK14MCHR1HDAC1 | |
| SCHEMBL885701 | 0.76 | RIPK1 (0.52) | KDRRIPK1MAPK14MAPK11SMYD3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2081928-A2 | PYRROLO-PYRIDINE KINASE INHIBITORS | Brystol-Myers Squibb Company (US) | 2009-07-29 | — | — | EP | claimed |
| WO-2008060907-A2 | PYRROLO-PYRIDINE KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-22 | — | — | WO | claimed |