Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 8/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.35 |
| ▸ | COMT | P21964 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4070353 | 0.94 | CALCA (0.55) | CALCAADORA2AADORA1COMTPOLB | |
| SCHEMBL4062083 | 0.93 | CALCA (0.45) | CALCAADORA2AADORA1COMT | |
| SCHEMBL6386076 | 0.90 | CALCA (0.58) | CALCAPOLB | |
| SCHEMBL4062076 | 0.87 | CALCA (0.53) | CALCAADORA2AADORA1COMTPOLB | |
| SCHEMBL4066535 | 0.86 | CALCA (0.62) | CALCAADORA2AADORA1COMT | |
| SCHEMBL4061912 | 0.85 | CALCA (0.61) | CALCAADORA2AADORA1COMT | |
| SCHEMBL4066652 | 0.85 | CALCA (0.54) | CALCAADORA2AADORA1 | |
| SCHEMBL6386078 | 0.83 | CALCA (0.68) | CALCAPOLB | |
| SCHEMBL967975 | 0.81 | CALCA (0.42) | CALCACOMT | |
| SCHEMBL4061904 | 0.79 | CALCA (0.51) | CALCAADORA2AADORA1COMTDDR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1326865-B1 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-05-06 | — | — | EP | disclosed |
| US-20050176718-A1 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | ANTHONY NEVILLE J (US) | 2005-08-11 | — | — | US | disclosed |
| US-6921759-B2 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | MERCK & CO., INC. (US) | 2005-07-26 | — | — | US | disclosed |
| US-20030055071-A1 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | MERCK SHARP & DOHME CORP. | 2003-03-20 | — | — | 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-20030055071-A1 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | POLI, DUT, NAAA | CALCA 3366/4885ADORA2A 2731/4885ADORA1 2330/4885 |
| US-20050176718-A1 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | POLI, DUT, NAAA | CALCA 3366/4885ADORA2A 2731/4885ADORA1 2330/4885 |
“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.