Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27652105 | 0.88 | VCAM1 (0.52) | VCAM1SMN1; SMN2CYP1A2TSHRCYP2C19 | |
| SCHEMBL22636648 | 0.86 | SMN1; SMN2 (0.55) | VCAM1SMN1; SMN2CYP1A2TSHRCYP2C19 | |
| SCHEMBL29430723 | 0.86 | SMN1; SMN2 (0.55) | VCAM1SMN1; SMN2CYP1A2TSHRCYP2C19 | |
| SCHEMBL8816182 | 0.85 | VCAM1 (0.50) | VCAM1SMN1; SMN2CYP1A2TSHRCYP2C19 | |
| SCHEMBL8895743 | 0.83 | PTGS2 (0.48) | VCAM1SMN1; SMN2CYP1A2TSHRCYP2C19 | |
| SCHEMBL8894848 | 0.82 | ALDH1A1 (0.47) | VCAM1CYP1A2CYP2C19KDM4EHPGD | |
| SCHEMBL8334682 | 0.82 | VCAM1 (0.47) | VCAM1SMN1; SMN2CYP1A2TSHRCYP2C19 | |
| SCHEMBL8918126 | 0.81 | CA12 (0.65) | VCAM1SMN1; SMN2CYP1A2TSHRCYP2C19 | |
| SCHEMBL6295085 | 0.81 | KMT2A (0.49) | SMN1; SMN2KDM4EALDH1A1MAPTL3MBTL1 | |
| SCHEMBL17689060 | 0.81 | PLK1 (0.50) | SMN1; SMN2TSHRHPGDCA12CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5670544-A | ANTIISCHEMIC AGENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-09-23 | — | — | US | disclosed |