Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL8976765 | 0.85 | NPC1 (0.72) | NPC1RAB9AHTTHDAC1HDAC6 | |
| SCHEMBL28451072 | 0.84 | NPC1 (0.56) | NPC1RAB9AHTTHDAC1HDAC6 | |
| SCHEMBL9828913 | 0.82 | SMN1; SMN2 (0.60) | NPC1RAB9AHDAC6MEN1KMT2A | |
| SCHEMBL8403844 | 0.82 | NPC1 (0.53) | NPC1RAB9AHTTHDAC1HDAC6 | |
| SCHEMBL25191493 | 0.81 | NPSR1 (0.60) | RAB9AHTTMEN1KMT2AKCNK3 | |
| SCHEMBL3043849 | 0.81 | NPC1 (0.56) | NPC1RAB9AHTTHDAC1HDAC6 | |
| SCHEMBL28442662 | 0.81 | NPC1 (0.52) | NPC1RAB9AHTTHDAC1HDAC6 | |
| SCHEMBL343830 | 0.81 | POLB (0.65) | NPC1RAB9AHDAC1HDAC6SMN1; SMN2 | |
| SCHEMBL28451351 | 0.81 | KCNK3 (0.53) | MEN1KMT2AKCNK3SMN1; SMN2KCNK9 | |
| SCHEMBL28088740 | 0.81 | TP53BP1 (0.52) | NPC1RAB9AHTTHDAC1SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111196772-B | Aroylamino isobutyryl derivative and application thereof | 沈阳化工研究院有限公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-111196772-A | Aroylamino isobutyryl derivative and application thereof | 沈阳化工研究院有限公司 | 2020-05-26 | — | — | CN | disclosed |