Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | JUN | P05412 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.38 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6019726 | 0.84 | CYP2A6 (0.43) | CYP2A6SMN1; SMN2TAAR1JUNMAPK8 | |
| SCHEMBL4681473 | 0.78 | CYP2A6 (0.56) | CYP2A6SMN1; SMN2TAAR1JUNMAPK8 | |
| SCHEMBL6020762 | 0.77 | MCL1 (0.36) | CA1CA2ALDH1A1POLB | |
| SCHEMBL6021610 | 0.76 | MAPT (0.42) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL6020719 | 0.71 | CYP1A2 (0.36) | CA1CA2 | |
| SCHEMBL6020904 | 0.70 | CA2 (0.41) | CA2ALDH1A1 | |
| SCHEMBL3070140 | 0.70 | CYP2A6 (0.61) | CYP2A6SMN1; SMN2TAAR1JUNMAPK8 | |
| SCHEMBL30138881 | 0.68 | CYP2A6 (0.58) | CYP2A6SMN1; SMN2TAAR1JUNMAPK8 | |
| SCHEMBL8905373 | 0.68 | CYP2A6 (0.58) | CYP2A6SMN1; SMN2TAAR1JUNMAPK8 | |
| SCHEMBL6021017 | 0.67 | ALDH1A1 (0.43) | CYP2A6SMN1; SMN2TAAR1ALOX5DPP4 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060252813-A1 | Apparatus for curing a composite laminate | JERINI AG (DE) | 2006-11-09 | — | — | US | claimed |
| EP-1575903-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | Jerini AG (DE) | 2005-09-21 | — | — | EP | claimed |
| WO-2004065353-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | JERINI AG (DE) | 2004-08-05 | — | — | WO | claimed |
| WO-2004056755-A2 | COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES | JERENI AG (DE) | 2004-07-08 | — | — | WO | claimed |
| EP-1433778-A1 | Use of nitriles as rotamase inhibitors | Jerini AG (DE) | 2004-06-30 | — | — | EP | claimed |
| EP-1433779-A1 | Use of nitriles as inhibitors of non-proteolytic enzymes | Jerini AG (DE) | 2004-06-30 | — | — | EP | claimed |
| US-20060252813-A1 | Apparatus for curing a composite laminate | JERINI AG (DE) | 2006-11-09 | — | — | US | disclosed |
| EP-1575903-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | Jerini AG (DE) | 2005-09-21 | — | — | EP | disclosed |
| WO-2004065353-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | JERINI AG (DE) | 2004-08-05 | — | — | WO | disclosed |
| WO-2004056755-A2 | COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES | JERENI AG (DE) | 2004-07-08 | — | — | WO | disclosed |
| EP-1433778-A1 | Use of nitriles as rotamase inhibitors | Jerini AG (DE) | 2004-06-30 | — | — | EP | disclosed |
| EP-1433779-A1 | Use of nitriles as inhibitors of non-proteolytic enzymes | Jerini AG (DE) | 2004-06-30 | — | — | EP | 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-20060252813-A1 | Apparatus for curing a composite laminate | DHX29, HDHD5, DHRS9 | CYP2A6 1265/4885SMN1; SMN2 3901/4885TAAR1 1583/4885 |
“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.