Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16000086 | 0.87 | SLC6A4 (0.46) | SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4846877 | 0.86 | ALDH1A1 (0.50) | SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21738851 | 0.81 | SLC6A4 (0.46) | SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15996970 | 0.80 | ADRA2A (0.55) | SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8107074 | 0.78 | LMNA (0.46) | SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16000084 | 0.77 | ALDH1A1 (0.47) | SLC6A4ALDH1A1CYP2C9CYP2C19KMT2A | |
| SCHEMBL16002841 | 0.76 | ALDH1A1 (0.49) | SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16000089 | 0.76 | SLC6A4 (0.47) | SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19655913 | 0.76 | IDO1 (0.58) | SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16002952 | 0.75 | SLC6A4 (0.49) | SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19 |
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-10233156-B2 | 9-membered fused ring derivative | SHIONOGI & CO., LTD. (JP) | 2019-03-19 | — | — | US | disclosed |
| US-20180079727-A1 | 9-MEMBERED FUSED RING DERIVATIVE | SHIONOGI & CO., LTD. (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-20180079727-A1 | 9-MEMBERED FUSED RING DERIVATIVE | ACSS2, AGTR2, ACSL3 | SLC6A4 3382/4885ALDH1A1 365/4885CYP1A2 124/4885 |
| US-10233156-B2 | 9-membered fused ring derivative | AGTR2, ACSS2, ACSL3 | SLC6A4 3177/4885ALDH1A1 362/4885CYP1A2 100/4885 |
“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.