Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14938479 | 0.87 | ALDH1A1 (0.48) | ALDH1A1MMP2SMN1; SMN2MEN1KMT2A | |
| Phenylmethylsemicarbazone SCHEMBL31006435 | 0.85 | ALDH1A1 (0.56) | ALDH1A1MMP2SMN1; SMN2MEN1KMT2A | |
| SCHEMBL23253782 | 0.85 | ALDH1A1 (0.60) | ALDH1A1MMP2SMN1; SMN2MEN1KMT2A | |
| SCHEMBL11302626 | 0.84 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2MEN1KMT2APOLB | |
| SCHEMBL20582085 | 0.84 | POLB (0.46) | ALDH1A1SMN1; SMN2MEN1KMT2APOLB | |
| SCHEMBL17541218 | 0.84 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2MEN1KMT2APOLB | |
| SCHEMBL11293827 | 0.82 | ALDH1A1 (0.69) | ALDH1A1MMP2SMN1; SMN2KMT2APOLB | |
| SCHEMBL10072258 | 0.81 | ALDH1A1 (0.52) | ALDH1A1MMP2SMN1; SMN2MAOBMEN1 | |
| SCHEMBL14938457 | 0.80 | ALDH1A1 (0.51) | ALDH1A1MMP2SMN1; SMN2POLBMIF | |
| SCHEMBL17666943 | 0.78 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2MAOBKMT2APOLB |
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-2013067646-A1 | PROCESS FOR THE SYNTHESIS OF BETA-AMINOCARBONYLS | UNIVERSITY OF OTTAWA (CA) | 2013-05-16 | — | — | WO | disclosed |