Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.36 |
| ▸ | OGG1 | O15527 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5014652 | 0.88 | CES1 (0.48) | CES2CES1CA1CA2GSK3B | |
| SCHEMBL16665582 | 0.78 | PLOD2 (0.45) | CES2CES1CA1CA2KCNJ11 | |
| SCHEMBL10247238 | 0.76 | ALDH1A1 (0.46) | CES2CES1CA2GSK3BKCNJ11 | |
| SCHEMBL28331909 | 0.76 | CES2 (0.54) | CES2CES1GSK3BIDO1 | |
| SCHEMBL24684593 | 0.73 | ESR1 (0.52) | CES2CES1GSK3B | |
| SCHEMBL17216 | 0.71 | CES1 (0.60) | CES2CES1CA1CA2GSK3B | |
| SCHEMBL16650 | 0.71 | CES2 (0.42) | CES2CES1CA1CA2CYP2A6 | |
| SCHEMBL12198147 | 0.71 | PRSS1 (0.55) | CES2CES1CA1CA2LMNA | |
| SCHEMBL20794341 | 0.69 | CA1 (0.53) | CA1CA2MAPTHTTTDP1 | |
| SCHEMBL691536 | 0.68 | CES2 (0.62) | CES2CES1CA1CA2GSK3B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110437230-B | Tertiary amine compound, diphosphine ligand, intermediate and preparation method thereof | 中国科学院上海有机化学研究所 | 2022-06-21 | — | — | CN | disclosed |
| US-20090291988-A1 | Reversible Inhibitors of Monoamine Oxidase A and B | MERCK FROSST CANADA LTD. (CA) | 2009-11-26 | — | — | US | disclosed |
| EP-1893562-A1 | REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B | Merck Frosst Canada Ltd. (CA) | 2008-03-05 | — | — | EP | disclosed |
| US-7154005-B2 | Synthesis of alpha fluoroalkyl amines | MERCK FROSST CANADA, LTD. (CA) | 2006-12-26 | — | — | US | disclosed |
| WO-2006133559-A1 | REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B | MERCK FROSST CANADA LTD. (CA) | 2006-12-21 | — | — | WO | disclosed |
| US-20060052642-A1 | Synthesis of alpha fluoroalkyl amines | MERCK CANADA INC. (CA) | 2006-03-09 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090291988-A1 | Reversible Inhibitors of Monoamine Oxidase A and B | MAOB, MAOA, XDH | CES2 135/4885CES1 512/4885CA1 2210/4885 |
| US-20060052642-A1 | Synthesis of alpha fluoroalkyl amines | ADH5, ADH1C, INMT | CES2 227/4885CES1 527/4885CA1 4148/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.