Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.35 |
| ▸ | CDC42BPA | Q5VT25 | 3/20 | 0.35 |
| ▸ | CDC42BPB | Q9Y5S2 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4288228 | 0.85 | GRIN2D (0.45) | ROCK2GRIN2DGRIN3BCHRM1ADRA1D | |
| SCHEMBL3402109 | 0.82 | ROCK2 (0.41) | ROCK2OPRM1OPRL1GRIN2DGRIN3B | |
| SCHEMBL30349346 | 0.74 | HRH4 (0.60) | GRIN2DGRIN3BCHRM1ADRA1DADRA1A | |
| SCHEMBL2378294 | 0.74 | HRH4 (0.60) | GRIN2DGRIN3BCHRM1ADRA1DADRA1A | |
| SCHEMBL3395979 | 0.72 | GRIN2D (0.43) | ROCK2OPRM1OPRL1GRIN2DGRIN3B | |
| SCHEMBL3566311 | 0.71 | HRH4 (0.50) | HRH4HRH3HTR3AADRA2C | |
| Acetic Acid SCHEMBL27854053 | 0.67 | OPRD1 (0.60) | GRIN2DGRIN3BCHRM1ADRA1DADRA1A | |
| SCHEMBL31713196 | 0.67 | ALDH1A1 (0.53) | ROCK2ROCK1CDC42BPACDC42BPBCHRNB2 | |
| SCHEMBL24467758 | 0.66 | ROCK2 (0.42) | ROCK2OPRM1OPRL1HRH4HRH3 | |
| SCHEMBL31713794 | 0.66 | PLD1 (0.58) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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-2247591-A1 | PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS | Novartis AG (CH) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009098236-A1 | PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS | NOVARTIS AG (CH) | 2009-08-13 | — | — | WO | disclosed |