Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | S100B | P04271 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16003239 | 0.85 | S100B (0.55) | TDP1ALDH1A1NOS1APAF1CYP3A4 | |
| SCHEMBL15928738 | 0.81 | S100B (0.48) | TDP1ALDH1A1CASP1APAF1CYP3A4 | |
| SCHEMBL10955324 | 0.79 | S100B (0.60) | TDP1ALDH1A1NOS1APAF1CYP3A4 | |
| SCHEMBL29740664 | 0.79 | S100B (0.60) | TDP1ALDH1A1NOS1APAF1CYP3A4 | |
| SCHEMBL12666654 | 0.77 | NOS1 (0.36) | ALDH1A1NOS1HRH3ADORA2AADORA1 | |
| SCHEMBL12674293 | 0.77 | ADORA2A (0.39) | TDP1ALDH1A1NOS1HRH3ADORA2A | |
| SCHEMBL16003510 | 0.76 | CYP3A4 (0.41) | ALDH1A1CASP1NOS1CYP3A4HRH3 | |
| SCHEMBL2367265 | 0.76 | APAF1 (0.56) | TDP1ALDH1A1CASP1APAF1CYP3A4 | |
| SCHEMBL55931 | 0.74 | ALDH1A1 (0.52) | TDP1ALDH1A1NOS1CYP3A4HRH3 | |
| SCHEMBL16003394 | 0.74 | ALDH1A1 (0.49) | TDP1ALDH1A1NOS1CYP3A4ADORA2A |
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-2009138440-A1 | CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2009-11-19 | — | — | WO | disclosed |