Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 7/20 | 0.52 |
| ▸ | LMNA | P02545 | 6/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 4/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | IGF2BP1 | Q9NZI8 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28359919 | 1.00 | NPC1 (0.53) | NPC1RAB9AMAPTLMNASMN1; SMN2 | |
| SCHEMBL30448570 | 0.91 | HDAC6 (0.56) | NPC1RAB9AMAPTLMNASMN1; SMN2 | |
| SCHEMBL28360016 | 0.91 | HDAC6 (0.56) | NPC1RAB9AMAPTLMNASMN1; SMN2 | |
| SCHEMBL28359887 | 0.91 | MAPT (0.54) | NPC1RAB9AMAPTLMNASMN1; SMN2 | |
| SCHEMBL30448328 | 0.91 | MAPT (0.54) | NPC1RAB9AMAPTLMNASMN1; SMN2 | |
| SCHEMBL28363339 | 0.90 | MAPT (0.55) | NPC1RAB9AMAPTLMNASMN1; SMN2 | |
| SCHEMBL28359758 | 0.89 | LMNA (0.54) | NPC1RAB9AMAPTLMNASMN1; SMN2 | |
| SCHEMBL30448553 | 0.89 | LMNA (0.54) | NPC1RAB9AMAPTLMNASMN1; SMN2 | |
| SCHEMBL28363632 | 0.89 | MAPT (0.51) | NPC1RAB9AMAPTLMNASMN1; SMN2 | |
| SCHEMBL30448566 | 0.89 | MAPT (0.51) | NPC1RAB9AMAPTLMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110668992-B | IDO/HDAC double-target compound and synthetic method and application thereof | 华东师范大学 | 2023-06-09 | — | — | CN | disclosed |