Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4157924 | 0.91 | KCNH2 (0.40) | KCNH2GRM2CYP2D6HRH3TP53 | |
| SCHEMBL4148650 | 0.80 | TP53 (0.37) | KCNH2GRM2CYP2D6HRH3TP53 | |
| SCHEMBL4144158 | 0.78 | GRM2 (0.50) | KCNH2GRM2CYP2D6HRH3TP53 | |
| SCHEMBL16185300 | 0.73 | TP53 (0.39) | KCNH2GRM2CYP2D6HRH3TP53 | |
| SCHEMBL17547427 | 0.72 | TP53 (0.41) | KCNH2GRM2CYP2D6HRH3TP53 | |
| SCHEMBL3902833 | 0.72 | GRM2 (0.47) | KCNH2GRM2CYP2D6HRH3TP53 | |
| SCHEMBL4140673 | 0.71 | GAA (0.44) | KCNH2GRM2MEN1KMT2ARAB9A | |
| SCHEMBL4148598 | 0.71 | TP53 (0.41) | KCNH2GRM2TP53MEN1KMT2A | |
| SCHEMBL16185333 | 0.71 | AKR1B1 (0.39) | KCNH2GRM2TP53MEN1KMT2A | |
| SCHEMBL2895560 | 0.71 | MEN1 (0.47) | KCNH2GRM2CYP2D6MEN1KMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070161639-A1 | Hiv integrase inhibitors | ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-07-12 | — | — | US | claimed |
| EP-1725554-A1 | HIV INTEGRASE INHIBITORS | Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) | 2006-11-29 | — | — | EP | claimed |
| WO-2005087766-A1 | HIV INTEGRASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) | 2005-09-22 | — | — | WO | claimed |
| US-20090099168-A1 | HIV Integrase inhibitors | DONGHI MONICA | 2009-04-16 | — | — | US | disclosed |
| US-20090099168-A1 | HIV Integrase inhibitors | DONGHI MONICA | 2009-04-16 | — | — | US | disclosed |
| US-20090099168-A1 | HIV Integrase inhibitors | DONGHI MONICA | 2009-04-16 | — | — | US | disclosed |
| US-20070161639-A1 | Hiv integrase inhibitors | ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-07-12 | — | — | US | disclosed |
| US-20070161639-A1 | Hiv integrase inhibitors | ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-07-12 | — | — | US | disclosed |
| US-20070161639-A1 | Hiv integrase inhibitors | ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-07-12 | — | — | 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-20070161639-A1 | Hiv integrase inhibitors | DPYD, DUT, TYMP | KCNH2 666/4885GRM2 3168/4885CYP2D6 296/4885 |
| US-20090099168-A1 | HIV Integrase inhibitors | DPYD, DUT, QDPR | KCNH2 722/4885GRM2 3764/4885CYP2D6 341/4885 |
“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.