Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1A | P54750 | 3/20 | 0.48 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.48 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.48 |
| ▸ | PDE2A | O00408 | 2/20 | 0.48 |
| ▸ | PDE5A | O76074 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3175170 | 0.87 | PDE4A (0.55) | — | |
| SCHEMBL3181178 | 0.85 | ADORA2A (0.54) | PDE1APDE1BPDE1CPDE2APDE5A | |
| SCHEMBL3175131 | 0.84 | PDE4A (0.57) | PDE1APDE1BPDE1CPDE2ACYP1A2 | |
| SCHEMBL3177989 | 0.83 | PDE4A (0.52) | PDE1APDE1BPDE1CPDE2APDE5A | |
| SCHEMBL19583228 | 0.83 | PDE1A (0.56) | PDE1APDE1BPDE1CPDE2APDE5A | |
| SCHEMBL3177656 | 0.82 | PDE4A (0.51) | PDE5ACYP1A2CYP2C19 | |
| SCHEMBL19583237 | 0.81 | PDE2A (0.44) | PDE1APDE1BPDE1CPDE2APDE5A | |
| SCHEMBL3177969 | 0.80 | PDE1A (0.46) | PDE1APDE1BPDE1CPDE2APDE5A | |
| SCHEMBL3170399 | 0.80 | PDE1A (0.43) | PDE1APDE1BPDE1CPDE2APDE5A | |
| 8-Chlorotheophylline SCHEMBL411139 | 0.79 | POLB (0.57) | CYP1A2MEN1CYP3A4BLMKMT2A |
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-20110118464-A1 | HALOGENATED XANTHINE DERIVATIVES AND PRECURSORS THEREOF FOR ANTI-CANCER AND ANTI-METASTASIS ACTIVITY AND PREPARING METHOD THEREOF | KAOHSIUNG MEDICAL UNIVERSITY | 2011-05-19 | — | — | US | claimed |
| US-20110118464-A1 | HALOGENATED XANTHINE DERIVATIVES AND PRECURSORS THEREOF FOR ANTI-CANCER AND ANTI-METASTASIS ACTIVITY AND PREPARING METHOD THEREOF | KAOHSIUNG MEDICAL UNIVERSITY | 2011-05-19 | — | — | 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-20110118464-A1 | HALOGENATED XANTHINE DERIVATIVES AND PRECURSORS THEREOF FOR ANTI-CANCER AND ANTI-METASTASIS ACTIVITY AND PREPARING METHOD THEREOF | TK1, XDH, KYAT1 | PDE1A 1994/4885PDE1B 2339/4885PDE1C 2521/4885 |
“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.