Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 6/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | MIF | P14174 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.53 |
| ▸ | F3 | P13726 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28733942 | 1.00 | MAOB (0.69) | MAOBCYP1A2MIFMAPTCYP19A1 | |
| SCHEMBL28733943 | 1.00 | MAOB (0.69) | MAOBCYP1A2MIFMAPTCYP19A1 | |
| SCHEMBL19792775 | 0.79 | MAOB (0.43) | MAOBCYP1A2MIFMAPTF3 | |
| SCHEMBL7052870 | 0.78 | PARP10 (0.58) | MAOBCYP1A2MAPTHSD11B1MAOA | |
| SCHEMBL23633272 | 0.76 | CYP1A2 (1.00) | MAOBCYP1A2MIFMAPTF3 | |
| SCHEMBL3128602 | 0.76 | CYP1A2 (1.00) | MAOBCYP1A2MIFMAPTF3 | |
| SCHEMBL12948629 | 0.76 | CYP1A2 (1.00) | MAOBCYP1A2MIFMAPTF3 | |
| SCHEMBL978681 | 0.76 | CYP1A2 (1.00) | MAOBCYP1A2MIFMAPTF3 | |
| SCHEMBL820654 | 0.76 | MAOB (1.00) | MAOBCYP1A2MIFMAPTCYP19A1 | |
| SCHEMBL980327 | 0.76 | MAOB (1.00) | MAOBCYP1A2MIFMAPTCYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112694449-B | Asymmetric hydrogenation of ketone and alpha, beta-unsaturated ketone catalyzed by nonmetal catalyst | 中国科学院化学研究所 | 2022-05-24 | — | — | CN | disclosed |