Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP6 | P55212 | 1/20 | 0.53 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.42 |
| ▸ | DOT1L | Q8TEK3 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3584680 | 0.79 | CASP6 (0.57) | CASP6NR4A2PDGFRBPDGFRADOT1L | |
| SCHEMBL27835033 | 0.79 | CASP6 (0.57) | CASP6NR4A2PDGFRBPDGFRADOT1L | |
| SCHEMBL3407645 | 0.79 | CASP6 (0.57) | CASP6NR4A2PDGFRBPDGFRADOT1L | |
| SCHEMBL24368437 | 0.78 | CASP6 (0.53) | CASP6NR4A2PDGFRBPDGFRADOT1L | |
| SCHEMBL1750620 | 0.75 | CASP6 (0.71) | CASP6NR4A2PDGFRBPDGFRADOT1L | |
| SCHEMBL24368384 | 0.74 | CASP6 (0.51) | CASP6NR4A2DOT1LALDH1A1PLK1 | |
| SCHEMBL11102883 | 0.73 | CASP6 (0.54) | CASP6NR4A2PDGFRBPDGFRADOT1L | |
| SCHEMBL3587114 | 0.73 | CASP6 (0.62) | CASP6NR4A2PDGFRBPDGFRADOT1L | |
| SCHEMBL3005405 | 0.72 | ALDH1A1 (0.53) | CYP2A6ALDH1A1PLK1NPC1POLB | |
| SCHEMBL2206223 | 0.72 | ALDH1A1 (0.53) | NR4A2CYP2A6ALDH1A1SLC6A2SLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100113421-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2010-05-06 | — | — | US | disclosed |
| EP-2076492-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | Merck & Co., Inc. (US) | 2009-07-08 | — | — | EP | disclosed |
| WO-2008054605-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2008-05-08 | — | — | 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-20100113421-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | RTF1, RNGTT, POLR2E | CASP6 2702/4885NR4A2 2236/4885CYP2A6 2162/4885 |
“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.