Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | STAT1 | P42224 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | NAAA | Q02083 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1492483 | 0.86 | NPC1 (0.69) | NPC1TDP1KMT2AMEN1ALDH1A1 | |
| SCHEMBL8599235 | 0.86 | NPC1 (0.69) | NPC1TDP1KMT2AMEN1ALDH1A1 | |
| SCHEMBL874261 | 0.84 | NPC1 (0.68) | NPC1TDP1KMT2AMEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7223460 | 0.79 | L3MBTL1 (0.65) | NPC1TDP1KMT2AMEN1ALDH1A1 | |
| SCHEMBL3967794 | 0.76 | HSD11B1 (0.77) | KMT2AMEN1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL10722408 | 0.76 | HSD11B1 (0.77) | KMT2AMEN1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL6285963 | 0.76 | NPC1 (0.96) | NPC1TDP1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL6692694 | 0.76 | HPGD (0.59) | NPC1TDP1KMT2AMEN1ALDH1A1 | |
| SCHEMBL17087869 | 0.76 | NPC1 (0.96) | NPC1TDP1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL8066357 | 0.75 | GAA (0.59) | NPC1TDP1KMT2AMEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004085661-A2 | PROCESS TO CHIRAL BETA-AMINO ACID DERIVATIVES | MERCK & CO., INC (US) | 2004-10-07 | — | — | WO | disclosed |