Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.81 |
| ▸ | RAB9A | P51151 | 6/20 | 0.81 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.81 |
| ▸ | PKM | P14618 | 2/20 | 0.81 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.81 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.81 |
| ▸ | RELA | Q04206 | 2/20 | 0.81 |
| ▸ | MEN1 | O00255 | 4/20 | 0.71 |
| ▸ | MAPT | P10636 | 4/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | MMP2 | P08253 | 1/20 | 0.58 |
| ▸ | MMP9 | P14780 | 1/20 | 0.58 |
| ▸ | MMP8 | P22894 | 1/20 | 0.58 |
| ▸ | MMP13 | P45452 | 1/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL6877470 | 0.89 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2PKMNFKB1 | |
| SCHEMBL7452479 | 0.85 | NPC1 (0.81) | NPC1RAB9ASMN1; SMN2PKMNFKB1 | |
| SCHEMBL16562124 | 0.85 | NPC1 (0.79) | NPC1RAB9ASMN1; SMN2PKMNFKB1 | |
| SCHEMBL14340278 | 0.80 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2PKMNFKB1 | |
| SCHEMBL14516684 | 0.79 | NPC1 (0.70) | NPC1RAB9ASMN1; SMN2PKMNFKB1 | |
| SCHEMBL2273799 | 0.79 | HDAC1 (0.73) | NPC1RAB9ASMN1; SMN2PKMNFKB1 | |
| SCHEMBL1304947 | 0.77 | HSD17B1 (0.66) | NPC1RAB9ASMN1; SMN2PKMNFKB1 | |
| SCHEMBL12635980 | 0.77 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2PKMNFKB1 | |
| SCHEMBL17311670 | 0.77 | ROCK1 (0.67) | NPC1RAB9ASMN1; SMN2PKMNFKB1 | |
| SCHEMBL210149 | 0.76 | SMN1; SMN2 (0.67) | NPC1RAB9ASMN1; SMN2PKMNFKB1 |
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-105085433-B | Substituted amide phenol compound and preparation method thereof, pharmaceutical composition and purposes | 中国科学院上海药物研究所 | 2019-06-25 | — | — | CN | disclosed |