Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | BRD4 | O60885 | 3/20 | 0.47 |
| ▸ | BRD2 | P25440 | 1/20 | 0.47 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PARG | Q86W56 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16237535 | 0.82 | ALDH1A1 (0.52) | ALDH1A1LMNABRD4BRD2BRD3 | |
| SCHEMBL16236371 | 0.80 | ALDH1A1 (0.55) | ALDH1A1LMNABRD4BRD2BRD3 | |
| SCHEMBL16254750 | 0.79 | ALDH1A1 (0.49) | ALDH1A1LMNABRD4BRD2BRD3 | |
| SCHEMBL13459317 | 0.76 | ALDH1A1 (0.54) | ALDH1A1LMNABRD4KMT2APDE4A | |
| SCHEMBL22954414 | 0.74 | MCOLN3 (0.54) | ALDH1A1LMNABRD4KMT2ASMN1; SMN2 | |
| SCHEMBL11992039 | 0.74 | ALDH1A1 (0.63) | ALDH1A1LMNABRD4BRD2BRD3 | |
| SCHEMBL1722693 | 0.74 | ALDH1A1 (0.52) | ALDH1A1LMNABRD4KMT2APDE4A | |
| SCHEMBL520306 | 0.72 | ALDH1A1 (0.60) | ALDH1A1LMNABRD4BRD2BRD3 | |
| SCHEMBL29954983 | 0.72 | ALDH1A1 (0.60) | ALDH1A1LMNABRD4BRD2BRD3 | |
| SCHEMBL2854064 | 0.71 | ALDH1A1 (0.59) | ALDH1A1LMNABRD4BRD2BRD3 |
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-9682083-B2 | Pyrrolo[2,3-D]pyrimidine derivatives, process for their preparation and their use as kinase inhibitors | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2017-06-20 | — | — | US | disclosed |