Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | HTT | P42858 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | CCR1 | P32246 | 4/20 | 0.50 |
| ▸ | CCR8 | P51685 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CCR5 | P51681 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | MMP2 | P08253 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | GMNN | O75496 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL16546999 | 1.00 | ALDH1A1 (0.62) | ALDH1A1LMNASMN1; SMN2KDM4EHTT | |
| SCHEMBL504434 | 0.86 | CCR1 (0.61) | ALDH1A1LMNASMN1; SMN2KDM4EHTT | |
| SCHEMBL14254380 | 0.86 | KDM4E (0.47) | ALDH1A1LMNASMN1; SMN2KDM4EHTT | |
| SCHEMBL22117517 | 0.85 | KDM4E (0.58) | ALDH1A1LMNASMN1; SMN2KDM4EHTT | |
| SCHEMBL17965489 | 0.85 | CCR1 (0.59) | ALDH1A1LMNASMN1; SMN2KDM4EHTT | |
| Water SCHEMBL28360091 | 0.85 | CCR1 (0.59) | ALDH1A1LMNASMN1; SMN2KDM4EHTT | |
| SCHEMBL751713 | 0.83 | LMNA (0.56) | ALDH1A1LMNASMN1; SMN2KDM4EHTT | |
| 1-Naphthoquinoline SCHEMBL28583281 | 0.79 | LMNA (0.67) | ALDH1A1LMNASMN1; SMN2KDM4EHTT | |
| 1-Naphthoquinoline SCHEMBL28190950 | 0.79 | LMNA (0.67) | ALDH1A1LMNASMN1; SMN2KDM4EHTT | |
| SCHEMBL14254379 | 0.79 | KDM4E (0.51) | ALDH1A1LMNASMN1; SMN2KDM4EHTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-114736158-B | Substituted aza [5] spiroalkene derivative, and preparation method and application thereof | 苏州大学 | 2024-01-05 | — | — | CN | disclosed |
| CN-114736158-A | Substituted aza [5] helicene derivative and preparation method and application thereof | 苏州大学 | 2022-07-12 | — | — | CN | disclosed |