Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | SMPD2 | O60906 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL6511954 | 1.00 | ALDH1A1 (0.35) | ALDH1A1HPGDKDM4EMAPTKMT2A | |
| SCHEMBL1326634 | 0.84 | SMPD2 (0.41) | ALDH1A1KDM4EKMT2AHSD17B10MEN1 | |
| SCHEMBL1432658 | 0.84 | SMPD2 (0.41) | ALDH1A1KDM4EKMT2AHSD17B10MEN1 | |
| SCHEMBL7229620 | 0.84 | SMPD2 (0.41) | ALDH1A1KDM4EKMT2AHSD17B10MEN1 | |
| SCHEMBL6508561 | 0.82 | ALDH1A1 (0.43) | ALDH1A1HPGDKDM4EMAPTKMT2A | |
| SCHEMBL6517627 | 0.75 | EPHX2 (0.38) | KMT2A | |
| SCHEMBL3594424 | 0.74 | MEN1 (0.36) | ALDH1A1KDM4EKMT2AHSD17B10MEN1 | |
| SCHEMBL995191 | 0.73 | MEN1 (0.43) | ALDH1A1KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL1325515 | 0.73 | MEN1 (0.43) | ALDH1A1KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL2190244 | 0.73 | AKR1B1 (0.39) | ALDH1A1HPGDKDM4EMAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6893716-B2 | Non-covalent assembly of multilayer thin film supramolecular structures | WORCESTER POLYTECHNIC INSTITUTE (US) | 2005-05-17 | — | — | US | disclosed |
| US-20040110009-A1 | Non-covalent assembly of multilayer thin film supramolecular structures | WORCESTER POLYTECHNIC INSTITUTE | 2004-06-10 | — | — | US | disclosed |