Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11619758 | 0.81 | HDAC3 (0.36) | PARP1PARP2HDAC3HDAC4HDAC1 | |
| SCHEMBL11646439 | 0.78 | ATM (0.39) | PARP1PARP2ALDH1A1CYP2C19 | |
| SCHEMBL11182714 | 0.76 | PARP1 (0.38) | CYP3A4PARP1PARP2HDAC3HDAC4 | |
| SCHEMBL27685281 | 0.73 | TP53 (0.62) | CYP3A4TP53ALDH1A1HDAC1CSNK1D | |
| SCHEMBL2898726 | 0.72 | MAPK1 (0.40) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL11183620 | 0.70 | POLB (0.43) | ALDH1A1P2RX7ROCK2PRMT5WDR77 | |
| SCHEMBL23464918 | 0.69 | — | — | |
| SCHEMBL19010124 | 0.69 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL9627129 | 0.67 | HDAC3 (0.37) | CYP3A4PARP1PARP2HDAC3HDAC4 | |
| SCHEMBL4360186 | 0.65 | TMEM97 (0.53) | SMN1; SMN2PARP1PARP2HRH3CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-7820680-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2010-10-26 | — | — | US | disclosed |
| EP-1725102-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-04-29 | — | — | EP | disclosed |
| US-20080009490-A1 | Hiv Integrase Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-10 | — | — | US | disclosed |
| EP-1725102-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005092099-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-10-06 | — | — | 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-20080009490-A1 | Hiv Integrase Inhibitors | TYMS, UNG, TYMP | PKM 2568/4885SMN1; SMN2 3245/4885CYP3A4 1091/4885 |
“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.