Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CUL4A | Q13619 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3677892 | 0.85 | ALDH1A1 (0.39) | ALDH1A1KDM4EPDE4DSOAT1ALPL | |
| SCHEMBL6630708 | 0.81 | ALOX5 (0.38) | ALDH1A1KDM4EPDE4DSOAT1ALPL | |
| SCHEMBL27466752 | 0.81 | ACHE (0.41) | ALDH1A1KDM4EPDE4DKMT2AMAPT | |
| SCHEMBL3931686 | 0.78 | HCAR2 (0.38) | ALPLCA9 | |
| SCHEMBL27974432 | 0.78 | LMNA (0.36) | ALDH1A1KDM4EPOLBMAPTRAB9A | |
| SCHEMBL10673565 | 0.77 | GAA (0.49) | ALPLNPC1MAPTRAB9AL3MBTL1 | |
| SCHEMBL28985438 | 0.77 | MEN1 (0.35) | KMT2AMEN1POLB | |
| SCHEMBL4111434 | 0.74 | PPARA (0.47) | ALDH1A1PDE4DKMT2AMEN1 | |
| SCHEMBL5571174 | 0.74 | RAB9A (0.42) | ALDH1A1KDM4EKMT2AMEN1RAB9A | |
| SCHEMBL11901291 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1091940-B1 | METHOD FOR PREPARING 1-ALKYL-PYRAZOL-5-CARBOXYLIC ACID ESTERS | BAYER AG (DE) | 2003-09-10 | — | — | EP | disclosed |
| EP-0854142-B1 | Process for the preparation of 1-alkylpyrazole-5-carboxylic esters | BAYER AG (DE) | 2002-09-18 | — | — | EP | disclosed |
| EP-1091940-A1 | METHOD FOR PREPARING 1-ALKYL-PYRAZOL-5-CARBOXYLIC ACID ESTERS | Bayer Aktiengesellschaft (DE) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000001673-A2 | METHOD FOR PREPARING 1-ALKYL-PYRAZOL-5-CARBOXYLIC ACID ESTERS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-01-13 | — | — | WO | disclosed |
| EP-0854142-A1 | Process for the preparation of 1-alkylpyrazole-5-carboxylic esters | BAYER AG (DE) | 1998-07-22 | — | — | EP | disclosed |