Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.37 |
| ▸ | LAP3 | P28838 | 2/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 6/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.36 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.35 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.34 |
| ▸ | ACE2 | Q9BYF1 | 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 | |
|---|---|---|---|---|
| SCHEMBL9329026 | 0.94 | TP53 (0.46) | TP53OPRM1CA1S1PR2S1PR1 | |
| SCHEMBL5520021 | 0.89 | PPARA (0.45) | TP53 | |
| SCHEMBL28324318 | 0.86 | METAP1 (0.39) | TP53CA1 | |
| SCHEMBL8746598 | 0.83 | TP53 (0.50) | TP53CA1SPHK1LAP3FDPS | |
| SCHEMBL9899017 | 0.79 | TP53 (0.42) | TP53OPRM1CA1SPHK1S1PR2 | |
| SCHEMBL23611820 | 0.76 | TP53 (0.47) | TP53SPHK1LAP3 | |
| SCHEMBL8666032 | 0.76 | TP53 (0.43) | TP53OPRM1LAP3GNAI3GNAO1 | |
| SCHEMBL7520225 | 0.76 | TP53 (0.54) | TP53CA1LAP3FDPS | |
| SCHEMBL27984298 | 0.76 | TP53 (0.54) | TP53CA1LAP3FDPS | |
| SCHEMBL28324363 | 0.76 | TP53 (0.60) | TP53OPRM1SPHK1LAP3S1PR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110396165-A | Ionic hydrophilic polyisocyanates and antioxidant | COVESTRO DEUTSCHLAND AG | 2019-11-01 | — | — | CN | disclosed |
| CN-110396173-A | Ionic hydrophilic polyisocyanates and free radical scavenger and/or peroxide decomposer | COVESTRO DEUTSCHLAND AG | 2019-11-01 | — | — | CN | disclosed |