Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL21100519 | 0.78 | SLC6A4 (0.48) | SLC6A4KDM4EHSD17B10ARALDH1A1 | |
| SCHEMBL333951 | 0.76 | SLC6A4 (0.47) | SLC6A4KDM4EHSD17B10ARALDH1A1 | |
| SCHEMBL13923556 | 0.76 | SLC6A4 (0.47) | SLC6A4KDM4EHSD17B10ARALDH1A1 | |
| SCHEMBL7937564 | 0.74 | SLC6A4 (0.45) | SLC6A4KDM4EHSD17B10ARALDH1A1 | |
| SCHEMBL5546729 | 0.74 | SLC6A4 (0.45) | SLC6A4KDM4EHSD17B10ARALDH1A1 | |
| SCHEMBL2737144 | 0.74 | SLC6A4 (0.45) | SLC6A4KDM4EHSD17B10ARALDH1A1 | |
| SCHEMBL2480563 | 0.74 | NR1H2 (0.50) | SLC6A4KDM4EHSD17B10ARALDH1A1 | |
| SCHEMBL15063439 | 0.74 | SLC6A4 (0.45) | SLC6A4KDM4EHSD17B10ARALDH1A1 | |
| SCHEMBL3046643 | 0.74 | ALDH1A1 (0.58) | SLC6A4KDM4EHSD17B10ARALDH1A1 | |
| SCHEMBL6285708 | 0.74 | SLC6A4 (0.45) | SLC6A4KDM4EHSD17B10ARALDH1A1 |
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-20080138635-A1 | Conjugated Organic Molecules for Molecular Electronic Devices | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2008-06-12 | — | — | US | disclosed |
| WO-2006093467-A1 | CONJUGATED ORGANIC MOLECULES FOR MOLECULAR ELECTRONIC DEVICES | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2006-09-08 | — | — | WO | disclosed |