Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | FABP4 | P15090 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9231410 | 1.00 | TSHR (0.56) | TSHRKDM4ELMNASLC2A1NPC1 | |
| SCHEMBL31362160 | 1.00 | TSHR (0.56) | TSHRKDM4ELMNASLC2A1NPC1 | |
| SCHEMBL4626208 | 0.98 | TSHR (0.55) | TSHRKDM4ELMNASLC2A1NPC1 | |
| SCHEMBL4626199 | 0.98 | TSHR (0.55) | TSHRKDM4ELMNASLC2A1NPC1 | |
| SCHEMBL11599210 | 0.87 | RAPGEF4 (0.43) | TSHRKDM4ELMNASLC2A1 | |
| SCHEMBL11599212 | 0.87 | RAPGEF4 (0.43) | TSHRKDM4ELMNASLC2A1 | |
| SCHEMBL733499 | 0.85 | MMP8 (0.53) | KDM4ELMNANPC1RAB9AHTT | |
| SCHEMBL5661601 | 0.85 | PTGS1 (0.48) | TSHRKDM4ELMNANPC1RAB9A | |
| SCHEMBL736304 | 0.85 | MMP8 (0.53) | KDM4ELMNANPC1RAB9AHTT | |
| SCHEMBL1555336 | 0.85 | MMP8 (0.53) | KDM4ELMNANPC1RAB9AHTT |
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-8138175-B2 | Heterocyclyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2012-03-20 | — | — | US | disclosed |
| CN-102112451-A | Diazepan and piperazine derivatives modulators of chemokine receptors | HOFFMANN LA ROCHE | 2011-06-29 | — | — | CN | disclosed |
| EP-2321285-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010012619-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-02-04 | — | — | WO | disclosed |
| US-20100022518-A1 | NOVEL HETEROCYCLYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-01-28 | — | — | US | disclosed |
| EP-0726707-A1 | ROOTING INHIBITORS | BAYER AG (DE) | 1996-08-21 | — | — | EP | disclosed |
| WO-1995012312-A1 | ROOTING INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 1995-05-11 | — | — | WO | disclosed |
| US-4353733-A | SYNERGISTIC, POSTEMERGENCE CONTROL OF WILD OATS | SHELL OIL COMPANY (US) | 1982-10-12 | — | — | US | disclosed |
| US-4102671-A | HERBICIDES | SHELL OIL COMPANY (US) | 1978-07-25 | — | — | 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-20100022518-A1 | NOVEL HETEROCYCLYL COMPOUNDS | CCR2, CCR3, CCR5 | TSHR 522/4885KDM4E 3886/4885LMNA 3760/4885 |
“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.