Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.48 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TMEM97 | Q5BJF2 | 8/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | HRH2 | P25021 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL26091943 | 0.85 | SMN1; SMN2 (0.48) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL26089419 | 0.85 | SMN1; SMN2 (0.48) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL18330020 | 0.84 | SMN1; SMN2 (0.50) | HTR2CSMN1; SMN2NPC1RAB9APDK1 | |
| SCHEMBL26092959 | 0.84 | SMN1; SMN2 (0.49) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL18330110 | 0.84 | SMN1; SMN2 (0.50) | HTR2CSMN1; SMN2NPC1RAB9APDK1 | |
| SCHEMBL18322256 | 0.84 | SMN1; SMN2 (0.50) | HTR2CSMN1; SMN2NPC1RAB9APDK1 | |
| SCHEMBL3662621 | 0.82 | HTR2C (0.58) | HTR2CSMN1; SMN2NPC1RAB9APDK1 | |
| SCHEMBL31393228 | 0.82 | HTR2C (0.58) | HTR2CSMN1; SMN2NPC1RAB9APDK1 | |
| SCHEMBL13073094 | 0.80 | SMN1; SMN2 (0.57) | HTR2CSMN1; SMN2NPC1RAB9APDK1 | |
| SCHEMBL30027449 | 0.79 | SMN1; SMN2 (0.43) | HTR2CSMN1; SMN2NPC1RAB9ACYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1677599-A4 | HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2008-10-22 | — | — | EP | disclosed |
| US-7435735-B2 | Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors | MERCK & CO., INC. (US) | 2008-10-14 | — | — | US | disclosed |
| US-20070093496-A1 | Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors | MERCK SHARP & DOHME CORP. | 2007-04-26 | — | — | US | disclosed |
| EP-1677599-A1 | HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005041664-A1 | HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-05-12 | — | — | WO | 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-20070093496-A1 | Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors | DHPS, DPYD, TYMP | HTR2C 2981/4885SMN1; SMN2 3773/4885NPC1 4325/4885 |
“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.