Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL8549222 | 0.82 | HTT (0.42) | ALDH1A1HTTMGLLSMN1; SMN2TDP1 | |
| SCHEMBL14794932 | 0.82 | MGLL (0.38) | ALDH1A1TSHRUSP2HTTHSD17B10 | |
| SCHEMBL22012806 | 0.71 | PPM1B (0.37) | ALDH1A1TSHRUSP2HTTHSD17B10 | |
| SCHEMBL15502887 | 0.69 | MGLL (0.59) | ALDH1A1TSHRHTTMGLLSMN1; SMN2 | |
| SCHEMBL14325520 | 0.69 | MGLL (0.42) | ALDH1A1TSHRHTTMGLLSMN1; SMN2 | |
| SCHEMBL23286083 | 0.67 | MGLL (0.41) | ALDH1A1TSHRHTTMGLLSMN1; SMN2 | |
| SCHEMBL11510536 | 0.67 | HTT (0.51) | ALDH1A1TSHRUSP2HTTHSD17B10 | |
| SCHEMBL22543431 | 0.67 | MGLL (0.45) | ALDH1A1TSHRHTTMGLLSMN1; SMN2 | |
| SCHEMBL28931864 | 0.67 | MGLL (0.45) | ALDH1A1TSHRHTTMGLLSMN1; SMN2 | |
| SCHEMBL10601922 | 0.67 | ALDH1A1 (0.47) | ALDH1A1TSHRHTTMGLLKMT2A |
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-20170053721-A1 | Modular Supramolecular Approach for Co-Crystallization of Donors and Acceptors into Ordered Networks | UNITED STATES DEPARTMENT OF ENERGY | 2017-02-23 | — | — | US | disclosed |