Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11354129 | 0.93 | NPC1 (0.49) | NPC1ALDH1A1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL11353905 | 0.92 | NPC1 (0.48) | NPC1ALDH1A1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL11353346 | 0.85 | NPC1 (0.64) | NPC1ALDH1A1TDP1 | |
| SCHEMBL11353901 | 0.84 | NPC1 (0.40) | NPC1ALDH1A1SMN1; SMN2HPGDRAB9A | |
| Diethanolamine SCHEMBL11368894 | 0.78 | NPC1 (0.55) | NPC1ALDH1A1 | |
| SCHEMBL11367069 | 0.78 | NPC1 (0.55) | NPC1ALDH1A1TDP1 | |
| SCHEMBL7649204 | 0.78 | ALDH1A1 (0.48) | NPC1ALDH1A1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL24844031 | 0.77 | GRM5 (0.52) | NPC1ALDH1A1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL11366907 | 0.76 | NPC1 (0.53) | NPC1ALDH1A1MEN1KMT2AL3MBTL1 | |
| SCHEMBL11395113 | 0.75 | NPC1 (0.51) | NPC1ALDH1A1SMN1; SMN2RAB9AMEN1 |
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-4306063-A | 4-Substituted 3,5-morpholinediones | MCNEIL LABORATORIES, INC. (US) | 1981-12-15 | — | — | US | disclosed |
| US-4256891-A | (2-Amino-2-oxoethoxy)acetic acid compounds | MCNEIL LABORATORIES, INC. (US) | 1981-03-17 | — | — | US | disclosed |
| US-4203991-A | (Piperidino oxoethoxy)acetic acid compounds, compositions and methods | MCNEILAB, INC. (US) | 1980-05-20 | — | — | US | disclosed |
| US-4123538-A | (2-Amino-2-oxoethoxy)acetic acid compounds, compositions and methods | MCNEIL LABORATORIES, INCORPORATED (US) | 1978-10-31 | — | — | US | disclosed |