Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.36 |
| ▸ | CCR1 | P32246 | 3/20 | 0.36 |
| ▸ | CCR5 | P51681 | 3/20 | 0.36 |
| ▸ | CCR8 | P51685 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7198950 | 0.99 | ALDH1A1 (0.38) | ALDH1A1MAPTKDM4ELMNATDP1 | |
| SCHEMBL6131362 | 0.77 | LMNA (0.42) | ALDH1A1MAPTKDM4ELMNATDP1 | |
| Hydrochloric Acid SCHEMBL7185110 | 0.69 | CYP1A2 (0.38) | ALDH1A1MAPTKDM4ELMNATDP1 | |
| Hydrochloric Acid SCHEMBL1072120 | 0.67 | ALDH1A1 (0.43) | ALDH1A1MAPTKDM4ELMNATDP1 | |
| SCHEMBL6131357 | 0.66 | ALDH1A1 (0.42) | ALDH1A1MAPTKDM4ELMNATDP1 | |
| Hydrochloric Acid SCHEMBL6365832 | 0.62 | CYP19A1 (0.31) | — | |
| SCHEMBL3967292 | 0.62 | — | — | |
| SCHEMBL5615471 | 0.62 | KDM4E (0.42) | ALDH1A1MAPTKDM4ELMNATDP1 | |
| Hydrochloric Acid SCHEMBL1974791 | 0.62 | CYP11B1 (0.33) | LMNATSHR | |
| SCHEMBL11959681 | 0.61 | KDM4E (0.56) | ALDH1A1MAPTKDM4ELMNATDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1534724-A2 | MONOCYCLOPENTADIENYL COMPLEXES | Basell Polyolefine GmbH (DE) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004020479-A2 | MONOCYCLOPENTADIENYL COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2004-03-11 | — | — | WO | disclosed |