Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 3/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | FPR3 | P25089 | 9/20 | 0.32 |
| ▸ | FPR2 | P25090 | 9/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL349475 | 0.84 | RORC (0.41) | RORCDGAT1NPC1RECQLRAB9A | |
| SCHEMBL29510625 | 0.80 | HDAC1 (0.45) | RORCNPC1RECQLRAB9ASMN1; SMN2 | |
| SCHEMBL3897729 | 0.79 | RORC (0.39) | RORCDGAT1NPC1RECQLRAB9A | |
| SCHEMBL29134732 | 0.78 | AKR1C1 (0.41) | SMN1; SMN2HDAC1CYP2C9TSHRCYP2C19 | |
| SCHEMBL29134935 | 0.71 | AKR1C1 (0.47) | HDAC1CYP2C9TSHRCYP2C19ALDH1A1 | |
| SCHEMBL10318843 | 0.70 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL15484064 | 0.69 | NPC1 (0.45) | NPC1RECQLRAB9ASMN1; SMN2FPR3 | |
| SCHEMBL14258104 | 0.69 | OPRM1 (0.49) | — | |
| SCHEMBL7015977 | 0.69 | ALDH1A1 (0.36) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL29134412 | 0.69 | OPRM1 (0.48) | — |
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-117120429-A | KHK inhibitor | 吉利德科学公司 | 2023-11-24 | — | — | CN | disclosed |