Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 9/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 5/20 | 0.37 |
| ▸ | PDCD1LG2 | Q9BQ51 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | 0.81 | CA12 (0.44) | ALDH1A1CYP2D6KDM4ELMNA | |
| SCHEMBL28656160 | 0.81 | KMT2A (0.42) | ALDH1A1CHRM2CD274PDCD1LG2KMT2A | |
| SCHEMBL28644434 | 0.79 | ALDH1A1 (0.47) | ALDH1A1CHRM2CD274PDCD1KMT2A | |
| SCHEMBL5554033 | 0.77 | MEN1 (0.45) | KMT2ACYP2D6CYP2C9 | |
| SCHEMBL8478013 | 0.76 | — | — | |
| SCHEMBL1661546 | 0.75 | — | — | |
| SCHEMBL10862450 | 0.75 | TP53 (0.42) | ALDH1A1CHRM2KMT2ACYP1A2CYP2D6 | |
| SCHEMBL5221050 | 0.74 | CHRM2 (0.67) | ALDH1A1CHRM2CD274PDCD1KDM4E | |
| SCHEMBL10742711 | 0.73 | MAPT (0.41) | ALDH1A1KMT2AKDM4E | |
| SCHEMBL9451924 | 0.71 | ALDH1A1 (0.32) | ALDH1A1 |
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 |