Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL5374337 | 0.91 | CYP3A4 (0.47) | CYP3A4SLC6A2SLC6A4SLC6A3AKR1B1 | |
| SCHEMBL5373719 | 0.88 | CYP3A4 (0.46) | CYP3A4SLC6A4ADORA2AAKR1B1KDM4E | |
| SCHEMBL5374344 | 0.88 | CYP3A4 (0.43) | CYP3A4SLC6A2SLC6A4SLC6A3AKR1B1 | |
| SCHEMBL5377719 | 0.86 | CYP3A4 (0.46) | CYP3A4SLC6A2SLC6A4SLC6A3AKR1B1 | |
| SCHEMBL5370985 | 0.85 | CYP3A4 (0.48) | CYP3A4ADORA2ACYP2C9TSHRCYP2C19 | |
| SCHEMBL5374946 | 0.84 | CYP3A4 (0.42) | CYP3A4AKR1B1CAMK2APRMT5WDR77 | |
| SCHEMBL14559753 | 0.83 | AR (0.39) | CYP3A4SLC6A4SLC6A3CYP2C9CYP2C19 | |
| SCHEMBL5365171 | 0.83 | CYP3A4 (0.49) | CYP3A4SLC6A4KDM4ENPC1RAB9A | |
| SCHEMBL5368939 | 0.82 | CYP3A4 (0.64) | CYP3A4SLC6A2SLC6A4SLC6A3AKR1B1 | |
| SCHEMBL5373947 | 0.82 | CYP3A4 (0.44) | CYP3A4AKR1B1CYP2C9TSHRCYP2C19 |
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-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| EP-1608629-A1 | BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-28 | — | — | EP | disclosed |
| US-20040198736-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2004-10-07 | — | — | US | disclosed |
| WO-2004085406-A1 | BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-10-07 | — | — | 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-20040198736-A1 | Non-nucleoside reverse transcriptase inhibitors | POLR1A, POLR2A, POLR2E | CYP3A4 264/4885SLC6A2 3490/4885SLC6A4 2509/4885 |
“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.