Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.53 |
| ▸ | NPC1 | O15118 | 8/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | TP53 | P04637 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | STAT1 | P42224 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8992989 | 1.00 | RAB9A (0.53) | RAB9ANPC1SMN1; SMN2TP53KMT2A | |
| SCHEMBL28076971 | 0.83 | ENPP2 (0.46) | RAB9ANPC1SMN1; SMN2TP53KMT2A | |
| SCHEMBL28076973 | 0.83 | ENPP2 (0.46) | RAB9ANPC1SMN1; SMN2TP53KMT2A | |
| SCHEMBL2666074 | 0.83 | TSHR (0.62) | RAB9ANPC1SMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL6897457 | 0.83 | ACHE (0.48) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL18545739 | 0.81 | KIF11 (0.49) | RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL19130472 | 0.81 | KIF11 (0.49) | RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL28076997 | 0.81 | KIF11 (0.49) | RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL14336006 | 0.79 | APP (0.46) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL28076900 | 0.75 | NPC1 (0.61) | RAB9ANPC1KMT2AMAPK1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105732249-A | Synthesis method of aryl alcohol compound and Escitalopram | 中国科学院上海有机化学研究所 | 2016-07-06 | — | — | CN | disclosed |