Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 7/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | CEPT1 | Q9Y6K0 | 1/20 | 0.45 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.43 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31154363 | 0.85 | NPC1 (0.63) | NPC1HSD17B10ALDH1A1TSHRTDP1 | |
| SCHEMBL30842558 | 0.82 | NPC1 (0.48) | NPC1HSD17B10ALDH1A1TSHRTDP1 | |
| SCHEMBL31154233 | 0.82 | NPC1 (0.49) | NPC1HSD17B10ALDH1A1TSHRCYP3A4 | |
| SCHEMBL16231622 | 0.79 | CEPT1 (0.54) | NPC1HSD17B10ALDH1A1RAB9AHPGD | |
| SCHEMBL19663011 | 0.78 | NPC1 (0.51) | NPC1HSD17B10ALDH1A1TDP1RAB9A | |
| SCHEMBL1921033 | 0.78 | NPC1 (0.57) | NPC1HSD17B10ALDH1A1TSHRRAB9A | |
| SCHEMBL13494491 | 0.74 | SMN1; SMN2 (0.51) | NPC1HSD17B10ALDH1A1TSHRCYP3A4 | |
| SCHEMBL23558137 | 0.74 | NPC1 (0.44) | NPC1HSD17B10ALDH1A1RAB9AHPGD | |
| SCHEMBL31667846 | 0.74 | ALDH1A1 (0.68) | HSD17B10ALDH1A1TSHRTDP1CYP3A4 | |
| SCHEMBL30831349 | 0.73 | SMN1; SMN2 (0.51) | NPC1HSD17B10ALDH1A1TSHRRAB9A |
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-2024219864-A1 | NOVEL COMPOUND EXHIBITING SETDB1 INHIBITORY ACTIVITY, AND USE THEREOF | 주식회사 넷타겟 | 2024-10-24 | — | — | WO | disclosed |