Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 3/20 | 0.36 |
| ▸ | TLR2 | O60603 | 1/20 | 0.36 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.36 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.34 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL57641 | 0.77 | ALDH1A1 (0.41) | CA1CA2ALDH1A1CYP2A6MAPT | |
| SCHEMBL14058825 | 0.71 | — | — | |
| SCHEMBL24442 | 0.69 | CA1 (0.31) | CA1CA2ALDH1A1MAPTTDP1 | |
| SCHEMBL18063549 | 0.69 | ERN1 (0.42) | ERN1ALDH1A1CYP2A6MAPTTDP1 | |
| SCHEMBL17010324 | 0.69 | ERN1 (0.41) | CA1CA2ERN1ALDH1A1MAPT | |
| SCHEMBL455316 | 0.69 | — | — | |
| SCHEMBL29160711 | 0.69 | SMN1; SMN2 (0.35) | CA1CA2ALDH1A1MAPTLMNA | |
| SCHEMBL1984415 | 0.69 | — | — | |
| SCHEMBL7496964 | 0.67 | — | — | |
| SCHEMBL1068597 | 0.67 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2603508-B1 | HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2019-03-13 | — | — | EP | disclosed |
| EP-2603508-A1 | HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES | Bayer Intellectual Property GmbH (DE) | 2013-06-19 | — | — | EP | disclosed |
| US-20120122928-A1 | Heteroarylpiperidine and -Piperazine Derivatives as Fungicides | BAYER CROPSCIENCE AG (DE) | 2012-05-17 | — | — | US | disclosed |
| WO-2012020060-A1 | HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2012-02-16 | — | — | WO | disclosed |
| EP-1656351-B1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2007-12-19 | — | — | EP | disclosed |
| US-7288658-B2 | Process for preparation of pyridine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2007-10-30 | — | — | US | disclosed |
| EP-1656351-A1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-17 | — | — | EP | disclosed |
| WO-2005014549-A1 | PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES | F. HOFFMANN-LA-ROCHE AG (CH) | 2005-02-17 | — | — | WO | disclosed |
| US-20050014792-A1 | Process for preparation of pyridine derivatives | ROCHE PALO ALTO LLC | 2005-01-20 | — | — | US | disclosed |
| EP-0879814-B1 | Triaromatic compounds, compositions containing them and uses thereof | CT INTERNAT DE BR RECH S DERMA (FR) | 2001-11-28 | — | — | EP | disclosed |
| EP-0879814-A1 | Triaromatic compounds, compositions containing them and uses thereof | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) | 1998-11-25 | — | — | 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 (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-20050014792-A1 | Process for preparation of pyridine derivatives | NOX3, KMO, PBK | CA1 473/4885CA2 317/4885ERN1 1588/4885 |
| US-20120122928-A1 | Heteroarylpiperidine and -Piperazine Derivatives as Fungicides | CYP1A1, PRXL2A, CYP1A2 | CA1 3369/4885CA2 938/4885ERN1 3658/4885 |
“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.