Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | IKZF3 | Q9UKT9 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9527011 | 0.78 | NPSR1 (0.45) | ALDH1A1CHRM2OPRM1DDB1CRBN | |
| SCHEMBL8909505 | 0.78 | ALDH1A1 (0.33) | CASP3ALDH1A1KMT2ACYP3A4 | |
| SCHEMBL11114717 | 0.77 | CA12 (0.53) | ALDH1A1CHRM2OPRM1DDB1CRBN | |
| SCHEMBL8893181 | 0.76 | CYP3A4 (0.33) | ALDH1A1KMT2ACYP3A4MAPT | |
| SCHEMBL4119644 | 0.74 | CASP3 (0.49) | CASP3ALDH1A1CHRM2OPRM1DDB1 | |
| SCHEMBL10861911 | 0.72 | DDB1 (0.43) | ALDH1A1DDB1CRBNTDP1POLB | |
| SCHEMBL13268064 | 0.71 | CASP3 (0.51) | CASP3ALDH1A1TSHRTDP1CA12 | |
| SCHEMBL170913 | 0.69 | CASP3 (0.85) | CASP3ALDH1A1TDP1CA12CA2 | |
| SCHEMBL31377051 | 0.69 | CASP3 (0.85) | CASP3ALDH1A1TDP1CA12CA2 | |
| SCHEMBL11375707 | 0.69 | ALDH1A1 (0.43) | ALDH1A1CYP1A2NPSR1CYP2C19SMN1; SMN2 |
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-1997042170-A1 | A PROCESS FOR THE PREPARATION OF AZETIDINONES | BIOCHIMICA OPOS S.P.A. (IT) | 1997-11-13 | — | — | WO | disclosed |