Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 7/20 | 0.38 |
| ▸ | NOS1 | P29475 | 7/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3146599 | 0.89 | CYP3A4 (0.73) | CYP3A4CYP2C9CYP2D6KCNH2DHFR | |
| SCHEMBL3145255 | 0.88 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2D6KCNH2NOS3 | |
| SCHEMBL3151052 | 0.85 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2D6KCNH2NOS3 | |
| SCHEMBL3152186 | 0.85 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2D6KCNH2DHFR | |
| SCHEMBL3159602 | 0.78 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2D6KCNH2SLC22A12 | |
| SCHEMBL3106763 | 0.77 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2D6KCNH2 | |
| SCHEMBL3612270 | 0.75 | KCNH2 (0.49) | CYP3A4CYP2C9CYP2D6KCNH2 | |
| SCHEMBL13119805 | 0.75 | KCNH2 (0.48) | CYP3A4CYP2C9CYP2D6KCNH2SLC22A12 | |
| SCHEMBL3147101 | 0.74 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2D6KCNH2SLC22A12 | |
| SCHEMBL3106961 | 0.74 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2D6KCNH2SLC22A12 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7807684-B2 | HIV reverse transcriptase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-10-05 | — | — | US | claimed |
| EP-1910360-B1 | HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO INC (US) | 2010-03-03 | — | — | EP | claimed |
| US-20070021442-A1 | HIV reverse transcriptase inhibitors | MERCK SHARP & DOHME CORP. | 2007-01-25 | — | — | US | claimed |
| US-7807684-B2 | HIV reverse transcriptase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2010-10-05 | — | — | US | disclosed |
| EP-1910360-B1 | HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO INC (US) | 2010-03-03 | — | — | EP | disclosed |
| US-20070021442-A1 | HIV reverse transcriptase inhibitors | MERCK SHARP & DOHME CORP. | 2007-01-25 | — | — | 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 (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-20070021442-A1 | HIV reverse transcriptase inhibitors | POLRMT, RNGTT, POLR2E | CYP3A4 862/4885CYP2C9 1496/4885CYP2D6 1726/4885 |
“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.