Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.86 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.86 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.86 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.44 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.31 |
| ▸ | VEGFA | P15692 | 1/20 | 0.30 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4274657 | 0.95 | CYP3A4 (0.91) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL5375519 | 0.94 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL4272969 | 0.93 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL5368425 | 0.93 | CYP3A4 (0.86) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL5368936 | 0.91 | CYP3A4 (0.72) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL5370974 | 0.91 | CYP3A4 (0.73) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL5344677 | 0.90 | CYP3A4 (0.81) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL5368624 | 0.89 | CYP3A4 (0.80) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL5668069 | 0.87 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19KCNH2SLC5A2 | |
| SCHEMBL5373843 | 0.86 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19KCNH2CYP2D6 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7608731-B2 | Phenylacetic acid compounds | ROCHE PALO ALTO LLC (US) | 2009-10-27 | — | — | US | disclosed |
| US-20080108810-A1 | Phenylacetic acid compounds | ROCHE PALO ALTO LLC | 2008-05-08 | — | — | US | disclosed |
| US-7291729-B2 | Process for preparing 3-aryloxy-phenylacetic acid compounds | ROCHE PALO ALTO LLC (US) | 2007-11-06 | — | — | US | disclosed |
| US-7288542-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-10-30 | — | — | 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-1730120-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-12-13 | — | — | EP | disclosed |
| US-20050234236-A1 | Process for preparing pyridazinone compounds | ROCHE PALO ALTO LLC | 2005-10-20 | — | — | US | disclosed |
| WO-2005090317-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2005-09-29 | — | — | WO | disclosed |
| US-20050215554-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2005-09-29 | — | — | 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 (3 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-20050215554-A1 | Non-nucleoside reverse transcriptase inhibitors | RTF1, HPRT1, TYMP | CYP3A4 2011/4885CYP2C9 2293/4885CYP2C19 1988/4885 |
| US-20080108810-A1 | Phenylacetic acid compounds | CYP2A6, CYP2B6, DDC | CYP3A4 100/4885CYP2C9 288/4885CYP2C19 116/4885 |
| US-20050234236-A1 | Process for preparing pyridazinone compounds | CYP2A6, CYP2B6, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | CYP3A4 73/4885CYP2C9 226/4885CYP2C19 105/4885 |
“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.