Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.71 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.62 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | PARP1 | P09874 | 5/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.53 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8359307 | 0.89 | SLC6A5 (0.74) | ACHESLC6A5PARP1HDAC1HDAC6 | |
| SCHEMBL8359525 | 0.87 | ACHE (0.73) | ACHESLC6A5AKR1B1KDM4EALDH1A1 | |
| SCHEMBL8359382 | 0.87 | ACHE (0.73) | ACHESLC6A5AKR1B1PARP1HDAC1 | |
| SCHEMBL2625346 | 0.85 | SLC6A5 (0.80) | ACHESLC6A5AKR1B1KDM4EALDH1A1 | |
| SCHEMBL633048 | 0.83 | ACHE (1.00) | ACHEAKR1B1HDAC1HDAC6 | |
| SCHEMBL12868556 | 0.79 | ACHE (0.68) | ACHESLC6A5AKR1B1HDAC1HDAC6 | |
| SCHEMBL2306231 | 0.79 | SLC6A5 (0.59) | ACHESLC6A5AKR1B1KDM4EALDH1A1 | |
| SCHEMBL8322947 | 0.78 | HPGD (0.67) | ACHESLC6A5AKR1B1GABRA1GABRA2 | |
| SCHEMBL31465327 | 0.78 | ACHE (0.67) | ACHESLC6A5AKR1B1HDAC1HDAC6 | |
| SCHEMBL8107160 | 0.78 | ACHE (0.67) | ACHEAKR1B1HDAC1HDAC6GABRA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7247641-B2 | Compounds, derivatives, compositions, preparation and uses | MGI GP, INC. (US) | 2007-07-24 | — | — | US | disclosed |
| US-7247641-B2 | Compounds, derivatives, compositions, preparation and uses | MGI GP, INC. (US) | 2007-07-24 | — | — | US | disclosed |
| WO-2003014121-A9 | COMPOUNDS, DERIVATIVES, COMPOSITIONS, PREPARATION AND USES | GUILFORD PHARM INC (US) | 2004-03-25 | — | — | WO | disclosed |
| WO-2003014121-A1 | COMPOUNDS, DERIVATIVES, COMPOSITIONS, PREPARATION AND USES | GUILFORD PHARMACEUTICALS INC. (US) | 2003-02-20 | — | — | WO | disclosed |