Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | EEF2K | O00418 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17076397 | 0.83 | ATM (0.40) | CYP2D6 | |
| SCHEMBL17076396 | 0.83 | ATM (0.40) | CYP2D6 | |
| SCHEMBL6825359 | 0.83 | SMN1; SMN2 (0.39) | CYP2D6CYP2C9HIF1A | |
| SCHEMBL16563726 | 0.82 | TRPV1 (0.40) | PDE2A | |
| SCHEMBL834923 | 0.79 | AKR1C3 (0.43) | CES2CES1ACP3FFAR1AKR1C3 | |
| SCHEMBL834922 | 0.79 | AKR1C3 (0.43) | CES2CES1ACP3FFAR1AKR1C3 | |
| SCHEMBL1595011 | 0.79 | AKR1C3 (0.40) | CES2CES1ACP3FFAR1AKR1C3 | |
| SCHEMBL28452237 | 0.78 | FFAR1 (0.48) | CES2CES1FFAR1EEF2KCNR2 | |
| SCHEMBL1595880 | 0.76 | AKR1C3 (0.39) | CES2CES1FFAR1AKR1C3AKR1C2 | |
| SCHEMBL1742950 | 0.74 | CES2 (0.37) | CES2CES1FFAR1AKR1C3AKR1C2 |
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-9469637-B2 | Nitrogenated heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-10-18 | — | — | US | disclosed |
| US-20150105373-A1 | NITROGENATED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-04-16 | — | — | 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 (1 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-20150105373-A1 | NITROGENATED HETEROCYCLIC COMPOUND | PDE2A, PDE5A, PDE3A | CES2 298/4885CES1 1285/4885ACP3 615/4885 |
“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.