Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18567737 | 0.83 | CES2 (0.50) | NPC1RAB9ASMN1; SMN2CES2CES1 | |
| SCHEMBL6630643 | 0.80 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2CES2CES1 | |
| SCHEMBL31080818 | 0.80 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2CES2CES1 | |
| SCHEMBL14395308 | 0.80 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2CES2CES1 | |
| SCHEMBL28127811 | 0.78 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2CES2CES1 | |
| SCHEMBL18567683 | 0.75 | CES2 (0.50) | RAB9ASMN1; SMN2CES2CES1GAA | |
| SCHEMBL18938849 | 0.75 | SMN1; SMN2 (0.46) | NPC1RAB9ASMN1; SMN2CES2CES1 | |
| SCHEMBL6815533 | 0.75 | SMN1; SMN2 (0.46) | NPC1RAB9ASMN1; SMN2CES2CES1 | |
| SCHEMBL27649863 | 0.75 | CES2 (0.52) | NPC1RAB9ASMN1; SMN2CES2CES1 | |
| SCHEMBL14127160 | 0.74 | CES2 (0.56) | NPC1RAB9ASMN1; SMN2CES2CES1 |
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-2017025532-A1 | COMBINATION TREATMENT COMPRISING ADMINISTRATION OF 2-AMINO-3,5,5-TRIFLUORO-3,4,5,6-TETRAHYDROPYRIDINES | H. LUNDBECK A/S (DK) | 2017-02-16 | — | — | WO | disclosed |