Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 6/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.48 |
| ▸ | RPS6KA4 | O75676 | 2/20 | 0.48 |
| ▸ | PRKACA | P17612 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
| ▸ | PRKX | P51817 | 2/20 | 0.48 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.48 |
| ▸ | GSK3A | P49840 | 1/20 | 0.48 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.48 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.48 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.48 |
| ▸ | FEN1 | P39748 | 1/20 | 0.47 |
| ▸ | EGLN1 | Q9GZT9 | 4/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ECE1 | P42892 | 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 | |
|---|---|---|---|---|
| SCHEMBL4062930 | 1.00 | ROCK2 (0.48) | ROCK2ROCK1MAPK1RPS6KA5RPS6KA4 | |
| SCHEMBL4060413 | 0.84 | FEN1 (0.47) | FEN1EGLN1SLC2A1 | |
| SCHEMBL7954435 | 0.84 | EGLN1 (0.63) | ROCK2ROCK1MAPK1RPS6KA5RPS6KA4 | |
| SCHEMBL7954438 | 0.84 | EGLN1 (0.63) | ROCK2ROCK1MAPK1RPS6KA5RPS6KA4 | |
| SCHEMBL4060889 | 0.82 | FEN1 (0.48) | ROCK2ROCK1MAPK1RPS6KA5PRKACA | |
| SCHEMBL4066741 | 0.79 | EGLN1 (0.69) | FEN1EGLN1EGFR | |
| SCHEMBL4063678 | 0.78 | ROCK1 (0.48) | ROCK2ROCK1PRKACAGSK3BPRKX | |
| SCHEMBL4058387 | 0.77 | EGLN1 (0.70) | FEN1EGLN1EGFR | |
| SCHEMBL6492038 | 0.77 | ELANE (0.53) | FEN1EGLN1CYP3A4SLC2A1 | |
| SCHEMBL4059832 | 0.77 | MAOA (0.60) | ROCK2ROCK1MAPK1RPS6KA5PRKACA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6921759-B2 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | MERCK & CO., INC. (US) | 2005-07-26 | — | — | US | claimed |
| US-20030055071-A1 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | MERCK SHARP & DOHME CORP. | 2003-03-20 | — | — | US | claimed |
| EP-1326865-B1 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-05-06 | — | — | EP | disclosed |
| 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 | ROCK2 3321/4885ROCK1 3351/4885MAPK1 4138/4885 |
| US-20050176718-A1 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | POLI, DUT, NAAA | ROCK2 3321/4885ROCK1 3351/4885MAPK1 4138/4885 |
“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.