Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | JUN | P05412 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.50 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.47 |
| ▸ | VCP | P55072 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Nicotinaldehyde SCHEMBL27910267 | 0.93 | ALDH1A1 (0.54) | ALDH1A1CYP11B2CYP11B1MAPTRAB9A | |
| Nicotinaldehyde SCHEMBL55950 | 0.93 | — | — | |
| Nicotinaldehyde SCHEMBL28069499 | 0.93 | ALDH1A1 (0.58) | ALDH1A1CYP11B2CYP11B1MAPTRAB9A | |
| Nicotinaldehyde SCHEMBL29364000 | 0.93 | — | — | |
| Nicotinaldehyde SCHEMBL28267384 | 0.91 | CYP11B2 (0.57) | ALDH1A1CYP11B2CYP11B1MAPTRAB9A | |
| Nicotinaldehyde SCHEMBL28670391 | 0.91 | — | — | |
| Nicotinaldehyde SCHEMBL3636771 | 0.91 | — | — | |
| Nicotinaldehyde SCHEMBL27451223 | 0.91 | ALDH1A1 (0.56) | ALDH1A1CYP11B2CYP11B1MAPTRAB9A | |
| Nicotinaldehyde SCHEMBL28288370 | 0.91 | — | — | |
| Nicotinaldehyde SCHEMBL28243821 | 0.91 | — | — |
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-110357888-A | Heterocycle phosphodiesterase inhibitors and application thereof | 南京药捷安康生物科技有限公司 | 2019-10-22 | — | — | CN | disclosed |