Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | FPR2 | P25090 | 2/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
| ▸ | FPR3 | P25089 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16014995 | 0.78 | CASP3 (0.62) | CASP3ALDH1A1KMT2AHCRTR1HCRTR2 | |
| SCHEMBL16129184 | 0.78 | CASP3 (0.62) | CASP3ALDH1A1KMT2AHCRTR1HCRTR2 | |
| SCHEMBL16014994 | 0.78 | CASP3 (0.62) | CASP3ALDH1A1KMT2AHCRTR1HCRTR2 | |
| SCHEMBL19903210 | 0.77 | ALDH1A1 (0.46) | ALDH1A1KMT2AFPR2GPR119POLB | |
| SCHEMBL3573555 | 0.75 | ALDH1A1 (0.51) | ALDH1A1KMT2APOLB | |
| SCHEMBL30271298 | 0.74 | CNR2 (0.40) | CASP3UCHL1KMT2AFPR2GPR119 | |
| SCHEMBL7322642 | 0.72 | LTA4H (0.46) | CASP3ALDH1A1KMT2ANPSR1 | |
| SCHEMBL15205977 | 0.71 | CNR2 (0.43) | CASP3ALDH1A1UCHL1ROCK2KMT2A | |
| SCHEMBL15205978 | 0.71 | CNR2 (0.43) | CASP3ALDH1A1UCHL1ROCK2KMT2A | |
| SCHEMBL11162466 | 0.71 | PARP1 (0.53) | ALDH1A1UCHL1ROCK2NPC1CHRNB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2964635-B1 | ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2018-05-02 | — | — | EP | disclosed |