Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 3/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.43 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.42 |
| ▸ | GSTA1 | P08263 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11469499 | 0.83 | POLB (0.53) | ALDH1A1RAB9ASMN1; SMN2CYP1A2KDM4E | |
| SCHEMBL14950270 | 0.83 | CYP1A2 (0.44) | ALDH1A1RAB9ASMN1; SMN2CYP1A2KDM4E | |
| SCHEMBL14938455 | 0.83 | MAPT (0.64) | ALDH1A1RAB9ASMN1; SMN2NPSR1CYP1A2 | |
| SCHEMBL11178611 | 0.78 | ENPP3 (0.42) | ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL30616243 | 0.77 | ALDH1A1 (0.50) | ALDH1A1RAB9ASMN1; SMN2CYP1A2KDM4E | |
| SCHEMBL14938501 | 0.77 | ALDH1A1 (0.63) | ALDH1A1RAB9ASMN1; SMN2NPSR1BCHE | |
| SCHEMBL22649382 | 0.77 | BCHE (0.64) | ALDH1A1RAB9ASMN1; SMN2NPSR1BCHE | |
| SCHEMBL22750830 | 0.76 | RAB9A (0.55) | ALDH1A1RAB9ASMN1; SMN2NPSR1BCHE | |
| SCHEMBL14938436 | 0.76 | ALDH1A1 (0.51) | ALDH1A1RAB9ASMN1; SMN2CYP1A2KDM4E | |
| SCHEMBL1562723 | 0.75 | GSTA1 (0.68) | ALDH1A1RAB9ASMN1; SMN2NPSR1BCHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013067646-A1 | PROCESS FOR THE SYNTHESIS OF BETA-AMINOCARBONYLS | UNIVERSITY OF OTTAWA (CA) | 2013-05-16 | — | — | WO | disclosed |
| WO-2013067646-A1 | PROCESS FOR THE SYNTHESIS OF BETA-AMINOCARBONYLS | UNIVERSITY OF OTTAWA (CA) | 2013-05-16 | — | — | WO | disclosed |