Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19786005 | 1.00 | ALDH1A1 (0.38) | ALDH1A1KDM4EMTNR1AMTNR1BAPP | |
| SCHEMBL19786023 | 0.82 | ALDH1A1 (0.40) | ALDH1A1KDM4EMTNR1AMTNR1BAPP | |
| SCHEMBL19786083 | 0.82 | ALDH1A1 (0.40) | ALDH1A1KDM4EMTNR1AMTNR1BAPP | |
| SCHEMBL21190025 | 0.81 | ALDH1A1 (0.41) | ALDH1A1MTNR1AMTNR1BNPC1MEN1 | |
| SCHEMBL19785878 | 0.81 | ALDH1A1 (0.41) | ALDH1A1MTNR1AMTNR1BNPC1MEN1 | |
| SCHEMBL19786132 | 0.79 | APP (0.44) | ALDH1A1KDM4EAPPNPC1RECQL | |
| SCHEMBL19785644 | 0.79 | APP (0.44) | ALDH1A1KDM4EAPPNPC1RECQL | |
| SCHEMBL19786028 | 0.78 | APP (0.47) | ALDH1A1APPNPC1MEN1KMT2A | |
| SCHEMBL19785649 | 0.78 | APP (0.47) | ALDH1A1APPNPC1MEN1KMT2A | |
| SCHEMBL21190022 | 0.77 | APP (0.46) | ALDH1A1KDM4EAPPNPC1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019143143-A1 | PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROBLASTOMA OR RHEUMATOID ARTHRITIS | 숙명여자대학교 산학협력단 | 2019-07-25 | — | — | WO | disclosed |
| WO-2018012947-A1 | NOVEL ORGANIC SULFUR COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER OR AN INFLAMMATORY DISEASE, CONTAINING SAME AS ACTIVE INGREDIENT | 숙명여자대학교 산학협력단 | 2018-01-18 | — | — | WO | disclosed |