Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14975683 | 0.77 | FFAR1 (0.60) | NPC1KDM4EALDH1A1MEN1CYP1A2 | |
| SCHEMBL3958132 | 0.76 | TRIM24 (0.34) | KDM4EALDH1A1MEN1CYP1A2CYP3A4 | |
| SCHEMBL27889923 | 0.74 | TRIM24 (0.38) | NPC1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL4062071 | 0.74 | LRRK2 (0.41) | NPC1KDM4EALDH1A1MEN1CYP1A2 | |
| SCHEMBL7937991 | 0.74 | NPC1 (0.44) | NPC1KDM4EALDH1A1MEN1CYP1A2 | |
| SCHEMBL18952028 | 0.73 | MAPT (0.57) | NPC1KDM4EALDH1A1MEN1CYP1A2 | |
| SCHEMBL4333501 | 0.73 | NPC1 (0.47) | NPC1KDM4EALDH1A1MEN1CYP1A2 | |
| SCHEMBL5255887 | 0.72 | KDM4E (0.50) | NPC1KDM4EALDH1A1MEN1CYP1A2 | |
| SCHEMBL193992 | 0.72 | KMT2A (0.50) | NPC1KDM4EALDH1A1MEN1CYP1A2 | |
| SCHEMBL5871989 | 0.70 | APP (0.75) | NPC1KDM4EALDH1A1MEN1CYP1A2 |
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-2020027905-A2 | ANALOGS OF 2-PRALIDOXIME AS ANTIDOTES AGAINST ORGANOPHOSPHORUS NERVE AGENTS | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2020-02-06 | — | — | WO | disclosed |