Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6994848 | 0.85 | POLB (0.49) | POLBNPC1ALDH1A1MAPTCYP1A2 | |
| SCHEMBL3364898 | 0.85 | NPC1 (0.52) | POLBNPC1ALDH1A1MAPTKDM4E | |
| SCHEMBL7611509 | 0.83 | NPC1 (0.50) | POLBNPC1ALDH1A1MAPTKDM4E | |
| Bromide SCHEMBL20547060 | 0.82 | NPC1 (0.49) | POLBNPC1ALDH1A1MAPTKDM4E | |
| SCHEMBL12126902 | 0.82 | POLB (0.56) | POLBNPC1ALDH1A1MAPTCYP1A2 | |
| SCHEMBL8284315 | 0.82 | POLB (0.56) | POLBNPC1ALDH1A1MAPTCYP1A2 | |
| SCHEMBL16633519 | 0.82 | POLB (0.56) | POLBNPC1ALDH1A1MAPTCYP1A2 | |
| SCHEMBL12198408 | 0.81 | NPC1 (0.47) | POLBNPC1ALDH1A1MAPTKDM4E | |
| SCHEMBL14215518 | 0.80 | RORC (0.55) | NPC1ALDH1A1MAPTKDM4EPTPN1 | |
| SCHEMBL18975218 | 0.80 | POLB (0.42) | POLBALDH1A1TSHRMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-4400497-A1 | 3CLPRO PROTEASE INHIBITOR | Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) | 2024-07-17 | — | — | EP | disclosed |