Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27448382 | 0.79 | ALDH1A1 (0.38) | ALDH1A1MAPK1BACE1 | |
| SCHEMBL27467087 | 0.76 | ALDH1A1 (0.41) | ALDH1A1HSD17B10MAPK1BCL2L1SMN1; SMN2 | |
| SCHEMBL7943843 | 0.75 | LMNA (0.30) | — | |
| SCHEMBL7931699 | 0.74 | CYP2A6 (0.43) | ALDH1A1HSD17B10HPGDCYP2A6DPP4 | |
| SCHEMBL27948763 | 0.74 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL218457 | 0.74 | NPC1 (0.38) | ALDH1A1HPGDNISCHHTTSMN1; SMN2 | |
| SCHEMBL27551070 | 0.74 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL217868 | 0.74 | EED (0.36) | ALDH1A1MAPK1NISCHSMN1; SMN2DCUN1D1 | |
| SCHEMBL27932987 | 0.74 | ALDH1A1 (0.33) | ALDH1A1MAPK1BACE1 | |
| SCHEMBL21447 | 0.72 | ALDH1A1 (0.61) | ALDH1A1HSD17B10HPGDMAPK1BCL2L1 |
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-1421090-A2 | METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM | Exxonmobil Chemical Patents Inc. (US) | 2004-05-26 | — | — | EP | disclosed |
| WO-2003002583-A2 | METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2003-01-09 | — | — | WO | disclosed |