Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8134133 | 0.88 | ALDH1A1 (0.53) | ALDH1A1TDP1L3MBTL1HTTMAPT | |
| SCHEMBL6257741 | 0.85 | ALDH1A1 (0.50) | ALDH1A1TDP1L3MBTL1HTTMAPT | |
| SCHEMBL983419 | 0.83 | ALDH1A1 (0.62) | ALDH1A1TDP1L3MBTL1HTTMAPT | |
| SCHEMBL29911025 | 0.82 | ALDH1A1 (0.60) | ALDH1A1TDP1L3MBTL1HTTMAPT | |
| SCHEMBL57736 | 0.82 | ALDH1A1 (0.60) | ALDH1A1TDP1L3MBTL1HTTMAPT | |
| SCHEMBL6443734 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TDP1L3MBTL1HTTMAPT | |
| SCHEMBL2475071 | 0.80 | ALDH1A1 (0.53) | ALDH1A1TDP1L3MBTL1HTTMAPT | |
| Bicarbonate SCHEMBL18955378 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TDP1L3MBTL1HTTMAPT | |
| Bicarbonate SCHEMBL18955379 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TDP1L3MBTL1HTTMAPT | |
| SCHEMBL7417979 | 0.79 | POLB (0.46) | ALDH1A1TDP1L3MBTL1HTTMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1569895-A4 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT INC (US) | 2007-07-11 | — | — | EP | disclosed |
| EP-1569895-A1 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | Xenoport, Inc. (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052844-A1 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2004-06-24 | — | — | WO | disclosed |