Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.54 |
| ▸ | PNP | P00491 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MET | P08581 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10048197 | 0.80 | ADORA2A (0.50) | ADORA2AADORA1PNPKMT2AMEN1 | |
| SCHEMBL9904902 | 0.79 | PLA2G7 (0.43) | ADORA2AADORA1PNPPLA2G7 | |
| SCHEMBL82538 | 0.75 | TAAR1 (0.43) | ADORA2AADORA1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL4523968 | 0.75 | POLB (0.43) | KMT2AMEN1SMN1; SMN2DAO | |
| SCHEMBL7007073 | 0.75 | PLA2G7 (0.49) | ADORA2AADORA1PNPSMN1; SMN2DAO | |
| Water SCHEMBL10981448 | 0.74 | TAAR1 (0.42) | ADORA2AADORA1SMN1; SMN2TAAR1 | |
| SCHEMBL14942695 | 0.73 | ALKBH3 (0.45) | KMT2AMEN1SMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL17139842 | 0.73 | PNP (0.71) | PNPKDR | |
| Fluoride SCHEMBL28059937 | 0.72 | TAAR1 (0.41) | ADORA2AADORA1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL13244912 | 0.70 | PDE5A (0.49) | ADORA2AADORA1PNPKMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2604260-B1 | NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | SHIONOGI & CO (JP) | 2017-05-10 | — | — | EP | disclosed |
| US-9212130-B2 | Heterocyclic derivative and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2015-12-15 | — | — | US | disclosed |
| US-20130225596-A1 | NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) | SHIONOGI & CO., LTD. (JP) | 2013-08-29 | — | — | 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-20130225596-A1 | NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) | P2RX3, P2RX6, P2RX2 | ADORA2A 36/4885ADORA1 30/4885PNP 1631/4885 |
“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.