Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 7/20 | 0.47 |
| ▸ | DRD2 | P14416 | 6/20 | 0.47 |
| ▸ | DRD3 | P35462 | 4/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL1059812 | 0.96 | TP53 (0.48) | MCHR1SIGMAR1TP53THRB | |
| SCHEMBL10314200 | 0.96 | MCHR1 (0.51) | MCHR1DRD4DRD2DRD3SIGMAR1 | |
| SCHEMBL10314199 | 0.92 | TP53 (0.51) | MCHR1SIGMAR1TP53THRB | |
| Trifluoroacetic Acid SCHEMBL1061267 | 0.90 | DRD4 (0.48) | MCHR1DRD4DRD2DRD3SIGMAR1 | |
| Trifluoroacetic Acid SCHEMBL1057025 | 0.89 | DRD4 (0.51) | MCHR1DRD4DRD2DRD3SIGMAR1 | |
| Trifluoroacetic Acid SCHEMBL1059876 | 0.85 | UBE2N (0.46) | MCHR1SIGMAR1TP53THRB | |
| SCHEMBL10314310 | 0.85 | DRD4 (0.51) | MCHR1DRD4DRD2DRD3SIGMAR1 | |
| Trifluoroacetic Acid SCHEMBL1062029 | 0.85 | SIGMAR1 (0.50) | MCHR1DRD4SIGMAR1TP53THRB | |
| SCHEMBL10314285 | 0.85 | DRD4 (0.56) | MCHR1DRD4DRD2DRD3SIGMAR1 | |
| SCHEMBL1059801 | 0.84 | HTR4 (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8399449-B2 | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-03-19 | — | — | US | disclosed |
| US-8217176-B2 | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-07-10 | — | — | US | disclosed |
| US-20110003788-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-01-06 | — | — | US | disclosed |
| US-20090227561-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-10 | — | — | 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-20110003788-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | SMO, NR1H2, NR1H4 | MCHR1 336/4885DRD4 1488/4885DRD2 1091/4885 |
| US-20090227561-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | SMO, NR1H2, NR1H4 | MCHR1 349/4885DRD4 1579/4885DRD2 1181/4885 |
“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.