Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL28640444 | 0.82 | CA12 (0.44) | CYP2D6SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL28645580 | 0.81 | ALDH1A1 (0.40) | KMT2ACYP2D6CYP1A2CYP2C9LMNA | |
| SCHEMBL28551043 | 0.77 | ALDH1A1 (0.31) | NPSR1ALDH1A1 | |
| SCHEMBL28644434 | 0.77 | ALDH1A1 (0.47) | KMT2ACYP2D6SMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL11689212 | 0.77 | — | — | |
| SCHEMBL28551640 | 0.74 | SIRT2 (0.35) | — | |
| SCHEMBL9097242 | 0.73 | CHRM2 (0.66) | KMT2ACYP2D6CYP1A2CYP2C9SMN1; SMN2 | |
| SCHEMBL3923875 | 0.73 | KDM4E (0.35) | KMT2ACYP2D6SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL1031941 | 0.71 | SMN1; SMN2 (0.50) | KMT2ASMN1; SMN2ALDH1A1CHRM2MEN1 | |
| SCHEMBL16467121 | 0.70 | KMT2A (0.62) | KMT2ACYP2D6CYP1A2CYP2C9SMN1; SMN2 |
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-109776377-B | Indoline compound and preparation method and application thereof | 沈阳药科大学 | 2021-08-24 | — | — | CN | disclosed |