Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.34 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 5/20 | 0.33 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MPI | P34949 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6826687 | 0.83 | ALDH1A1 (0.40) | CES1ALDH1A1MAOBCYP2A6MAOA | |
| SCHEMBL12843388 | 0.76 | CES1 (0.39) | CES1ALDH1A1MAOBCYP2A6MAOA | |
| SCHEMBL31301103 | 0.72 | NPC1 (0.53) | CES1ALDH1A1MAOAMAPTNPC1 | |
| SCHEMBL1200124 | 0.72 | NPC1 (0.53) | CES1ALDH1A1MAOAMAPTNPC1 | |
| SCHEMBL29139832 | 0.72 | SMN1; SMN2 (0.42) | CES1ALDH1A1MAOBCYP2A6MAOA | |
| SCHEMBL7749803 | 0.72 | CES1 (0.43) | CES1MAOBCYP2A6MAOAPDPK1 | |
| SCHEMBL29648452 | 0.72 | CES1 (0.43) | CES1MAOBCYP2A6MAOAPDPK1 | |
| SCHEMBL23181452 | 0.71 | CES1 (0.35) | CES1ALDH1A1MAOBCYP2A6MAOA | |
| SCHEMBL2674629 | 0.71 | SIGMAR1 (0.43) | CES1ALDH1A1MAOBCYP2A6MAOA | |
| SCHEMBL4771351 | 0.70 | CYP1A2 (0.35) | CES1ALDH1A1MAOBCYP2A6MAOA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109438272-A | The synthetic method of C5a receptor antagonist W-54011 | 常州大学 | 2019-03-08 | — | — | CN | disclosed |
| US-10011559-B2 | Preparation of chiral amides and amines | SUNOVION PHARMACEUTICALS INC. (US) | 2018-07-03 | — | — | US | disclosed |
| US-20180016224-A1 | PREPARATION OF CHIRAL AMIDES AND AMINES | SUNOVION PHARMACEUTICALS INC. | 2018-01-18 | — | — | 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-10011559-B2 | Preparation of chiral amides and amines | PNMT, ALKBH5, ALKBH2 | CES1 1643/4885ALDH1A1 501/4885MAOB 627/4885 |
| US-20180016224-A1 | PREPARATION OF CHIRAL AMIDES AND AMINES | PNMT, ALKBH2, ALKBH5 | CES1 1627/4885ALDH1A1 523/4885MAOB 660/4885 |
“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.