Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL5176456 | 0.97 | CYP1A2 (0.33) | CYP1A2ALDH1A1KDM4EALOX15TSHR | |
| Hydrochloric Acid SCHEMBL1071457 | 0.96 | ALDH1A1 (0.35) | CYP1A2ALDH1A1KDM4EALOX15TSHR | |
| Hydrochloric Acid SCHEMBL1071433 | 0.96 | ALDH1A1 (0.35) | CYP1A2ALDH1A1KDM4EALOX15TSHR | |
| Hydrochloric Acid SCHEMBL5078576 | 0.83 | ALDH1A1 (0.33) | CYP1A2ALDH1A1KDM4EALOX15TSHR | |
| Hydrochloric Acid SCHEMBL2047916 | 0.83 | ALDH1A1 (0.33) | CYP1A2ALDH1A1KDM4EALOX15TSHR | |
| SCHEMBL933207 | 0.81 | CYP1A2 (0.33) | CYP1A2ALDH1A1KDM4EALOX15TSHR | |
| Hydrochloric Acid SCHEMBL1079384 | 0.77 | ALDH1A1 (0.35) | CYP1A2ALDH1A1KDM4EALOX15TSHR | |
| Bromide SCHEMBL933202 | 0.77 | CYP1A2 (0.33) | CYP1A2ALDH1A1KDM4EALOX15TSHR | |
| SCHEMBL6641842 | 0.73 | KDM4E (0.56) | CYP1A2ALDH1A1KDM4EALOX15TSHR | |
| SCHEMBL455687 | 0.71 | KDM4E (0.59) | CYP1A2ALDH1A1KDM4EALOX15TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1778400-B1 | CYCLOPENTADIENYL COMPLEXES OF GROUP 6 SUBSTITUTED BY SILYL HALIDES | BASELL POLYOLEFINE GMBH (DE) | 2009-05-06 | — | — | EP | disclosed |
| EP-1861409-A1 | MONOCYCLOPENTADIENYL COMPLEXES | Basell Polyolefine GmbH (DE) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006100004-A1 | MONOCYCLOPENTADIENYL COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2006-09-28 | — | — | WO | disclosed |