Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5815510 | 0.82 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL15115437 | 0.81 | ALDH1A1 (0.45) | CES2CES1TSHRALDH1A1HSD11B1 | |
| SCHEMBL12713534 | 0.81 | ALDH1A1 (0.45) | CES2CES1TSHRALDH1A1HSD11B1 | |
| SCHEMBL13273624 | 0.80 | CES2 (0.52) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL19393778 | 0.80 | CES2 (0.52) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL9298492 | 0.80 | CES2 (0.52) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL1679605 | 0.78 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL22419009 | 0.78 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL1678567 | 0.78 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL1596590 | 0.78 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-10252997-B2 | Monocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-04-09 | — | — | US | disclosed |
| US-20180079723-A1 | MONOCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-03-22 | — | — | 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-10252997-B2 | Monocyclic compound | FABP1, CPT1A, GOT2 | CES2 309/4885CES1 27/4885HDAC8 267/4885 |
| US-20180079723-A1 | MONOCYCLIC COMPOUND | FABP1, CPT1A, GOT2 | CES2 309/4885CES1 27/4885HDAC8 267/4885 |
“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.