Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.53 |
| ▸ | LTA4H | P09960 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | USP2 | O75604 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | CASP1 | P29466 | 2/20 | 0.45 |
| ▸ | BRCA1 | P38398 | 2/20 | 0.45 |
| ▸ | CASP7 | P55210 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | HBB | P68871 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28295000 | 0.89 | TRPV4 (0.57) | ACHEHTTDRD3TRPV4KDM4E | |
| SCHEMBL7549624 | 0.81 | ACHE (0.51) | ACHELTA4HHTTKDM4EALDH1A1 | |
| SCHEMBL9518976 | 0.80 | HTT (0.68) | LTA4HHTTDRD3PARP1 | |
| SCHEMBL541063 | 0.77 | NPC1 (0.54) | HTTKDM4EALDH1A1RAB9AHPGD | |
| SCHEMBL9520094 | 0.76 | HTT (0.69) | LTA4HHTTDRD3RAB9AHPGD | |
| SCHEMBL7549627 | 0.74 | HRH3 (0.52) | ACHELTA4HHTTKDM4EALDH1A1 | |
| SCHEMBL9518726 | 0.74 | DRD2 (0.67) | LTA4HHTTDRD3RAB9AHPGD | |
| SCHEMBL2176985 | 0.74 | NPC1 (0.59) | HTTKDM4EALDH1A1RAB9AHPGD | |
| SCHEMBL2178196 | 0.74 | NPC1 (0.55) | HTTKDM4EALDH1A1RAB9AHPGD | |
| SCHEMBL28693050 | 0.73 | HTR4 (0.48) | ACHEPARP1 |
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-109665987-A | Naphthalene lactim-polyamines conjugate and its preparation method and application | 河南大学 | 2019-04-23 | — | — | CN | disclosed |