Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.35 |
| ▸ | TUBB | P07437 | 3/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.35 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.35 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.35 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.35 |
| ▸ | TUBB2A | Q13885 | 3/20 | 0.35 |
| ▸ | TUBB8 | Q3ZCM7 | 3/20 | 0.35 |
| ▸ | TUBA3E | Q6PEY2 | 3/20 | 0.35 |
| ▸ | TUBA1A | Q71U36 | 3/20 | 0.35 |
| ▸ | TUBA1C | Q9BQE3 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5142991 | 0.87 | TUBB4A (0.36) | CYP2A6LMNARXFP1KDM4EMEN1 | |
| SCHEMBL27822798 | 0.81 | CYP2A6 (0.34) | CYP2A6LMNAKDM4EMEN1ALDH1A1 | |
| SCHEMBL27802205 | 0.81 | CYP2A6 (0.34) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL5144913 | 0.79 | CYP2A6 (0.50) | CYP2A6KDM4EMEN1KMT2APOLB | |
| SCHEMBL27802204 | 0.77 | MAPT (0.34) | CYP2A6LMNARXFP1KDM4EMEN1 | |
| SCHEMBL27802182 | 0.77 | LMNA (0.36) | LMNARXFP1MEN1MAPTKMT2A | |
| SCHEMBL27822870 | 0.76 | LMNA (0.33) | CYP2A6LMNARXFP1L3MBTL1SMN1; SMN2 | |
| SCHEMBL27802198 | 0.75 | ERN1 (0.31) | CYP2A6NCEH1 | |
| SCHEMBL14472601 | 0.74 | AHR (0.33) | CYP2A6LMNARXFP1KDM4EMEN1 | |
| SCHEMBL7629191 | 0.74 | PTGS1 (0.38) | LMNAKDM4EMAPTTUBB4ATUBB |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2931719-B1 | DIMERIC COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2017-01-25 | — | — | EP | claimed |
| US-9409888-B2 | Dimeric compounds | HOFFMANN-LA ROCHE INC. (US) | 2016-08-09 | — | — | US | claimed |
| US-9394263-B2 | Substituted hetero-azepinones | F. HOFFMANN-LA ROCHE AG (CH) | 2016-07-19 | — | — | US | claimed |
| US-20160024055-A1 | DIMERIC COMPOUNDS | HOFFMANN-LA ROCHE INC. | 2016-01-28 | — | — | US | claimed |
| US-20150361059-A1 | SUBSTITUTED HETERO-AZEPINONES | HOFFMAN-LA ROCHE INC. (US) | 2015-12-17 | — | — | US | claimed |
| EP-2931719-A1 | DIMERIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2015-10-21 | — | — | EP | claimed |
| EP-2882725-A1 | SUBSTITUTED HETERO-AZEPINONES | F. Hoffmann-La Roche AG (CH) | 2015-06-17 | — | — | EP | claimed |
| WO-2014090709-A1 | DIMERIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-06-19 | — | — | WO | claimed |
| WO-2014023708-A1 | SUBSTITUTED HETERO-AZEPINONES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-13 | — | — | WO | claimed |
| EP-2931719-B1 | DIMERIC COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2017-01-25 | — | — | EP | disclosed |
| US-9409888-B2 | Dimeric compounds | HOFFMANN-LA ROCHE INC. (US) | 2016-08-09 | — | — | US | disclosed |
| US-9394263-B2 | Substituted hetero-azepinones | F. HOFFMANN-LA ROCHE AG (CH) | 2016-07-19 | — | — | US | disclosed |
| US-20160024055-A1 | DIMERIC COMPOUNDS | HOFFMANN-LA ROCHE INC. | 2016-01-28 | — | — | US | disclosed |
| US-20150361059-A1 | SUBSTITUTED HETERO-AZEPINONES | HOFFMAN-LA ROCHE INC. (US) | 2015-12-17 | — | — | US | disclosed |
| EP-2931719-A1 | DIMERIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2015-10-21 | — | — | EP | disclosed |
| EP-2882725-A1 | SUBSTITUTED HETERO-AZEPINONES | F. Hoffmann-La Roche AG (CH) | 2015-06-17 | — | — | EP | disclosed |
| WO-2015040141-A1 | CYCLOBUTYLCARBOXAMIDES AS NEMATICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2015-03-26 | — | — | WO | disclosed |
| WO-2014090709-A1 | DIMERIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-06-19 | — | — | WO | disclosed |
| WO-2014023708-A1 | SUBSTITUTED HETERO-AZEPINONES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-13 | — | — | 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 (2 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-20150361059-A1 | SUBSTITUTED HETERO-AZEPINONES | CCNY, CCNE1, CCND3 | CYP2A6 901/4885LMNA 2738/4885RXFP1 1238/4885 |
| US-20160024055-A1 | DIMERIC COMPOUNDS | ZYX, TP53, ZFX | CYP2A6 548/4885LMNA 2033/4885RXFP1 1993/4885 |
“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.