Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 8/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | KDM6B | O15054 | 1/20 | 0.47 |
| ▸ | KDM6A | O15550 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.44 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL25195617 | 1.00 | NPC1 (0.61) | NPC1MAPTPOLBTDP1KDM4E | |
| SCHEMBL25192531 | 0.91 | NPC1 (0.68) | NPC1MAPTPOLBTDP1KDM4E | |
| SCHEMBL30842503 | 0.91 | NPC1 (0.68) | NPC1MAPTPOLBTDP1KDM4E | |
| SCHEMBL25521791 | 0.88 | KDM6B (0.55) | NPC1MAPTPOLBKDM4EALDH1A1 | |
| SCHEMBL11326116 | 0.83 | NPC1 (0.72) | NPC1MAPTPOLBTDP1KDM4E | |
| SCHEMBL1347677 | 0.81 | NPC1 (0.77) | NPC1MAPTPOLBKDM4EALDH1A1 | |
| SCHEMBL5832496 | 0.79 | NPC1 (0.74) | NPC1MAPTTDP1KDM4EALDH1A1 | |
| SCHEMBL13439422 | 0.79 | NPC1 (0.73) | NPC1MAPTPOLBTDP1KDM4E | |
| SCHEMBL30842485 | 0.79 | NPC1 (0.73) | NPC1MAPTPOLBTDP1KDM4E | |
| SCHEMBL8964777 | 0.77 | KDM6B (0.61) | NPC1MAPTPOLBTDP1KDM4E |
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-118748992-A | Novel modulators of aryl hydrocarbon receptors and methods of use thereof | 元启(苏州)生物制药有限公司 | 2024-10-08 | — | — | CN | disclosed |