Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | JUN | P05412 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8911537 | 0.94 | ALDH1A1 (0.51) | CYP11B2ALDH1A1CYP11B1NPSR1MAPT | |
| SCHEMBL8482013 | 0.84 | CHRNB2 (0.43) | CYP11B2ALDH1A1CYP11B1NPSR1MAPT | |
| SCHEMBL18700858 | 0.77 | CYP11B2 (0.52) | CYP11B2ALDH1A1CYP11B1NPSR1MAPT | |
| SCHEMBL18700856 | 0.77 | CYP11B2 (0.52) | CYP11B2ALDH1A1CYP11B1NPSR1MAPT | |
| SCHEMBL1119433 | 0.74 | ALDH1A1 (0.42) | ALDH1A1NPSR1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL5133115 | 0.74 | CHRNB2 (0.53) | CYP11B2ALDH1A1CYP11B1NPSR1MAPT | |
| SCHEMBL27802133 | 0.73 | CYP11B1 (0.57) | CYP11B2ALDH1A1CYP11B1MAPTRAB9A | |
| SCHEMBL25030388 | 0.73 | ALDH1A1 (0.56) | CYP11B2ALDH1A1CYP11B1NPSR1MAPT | |
| SCHEMBL25238428 | 0.70 | CYP11B2 (0.53) | CYP11B2ALDH1A1CYP11B1MAPTRAB9A | |
| Nicotinaldehyde SCHEMBL11385746 | 0.70 | — | — |
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-0532693-A1 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-24 | — | — | EP | disclosed |