Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.43 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22271648 | 0.84 | ALDH1A1 (0.52) | ALDH1A1TDP1KCNH2CYP19A1ESPL1 | |
| SCHEMBL6549530 | 0.83 | TDP1 (0.50) | ALDH1A1TDP1KCNH2CYP19A1ESPL1 | |
| SCHEMBL11783489 | 0.81 | KCNH2 (0.49) | ALDH1A1TDP1KCNH2CYP19A1MAPT | |
| SCHEMBL899648 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TDP1KCNH2MAPTHTT | |
| SCHEMBL3477025 | 0.81 | KCNH2 (0.49) | ALDH1A1TDP1KCNH2CYP19A1MAPT | |
| SCHEMBL899647 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TDP1KCNH2MAPTHTT | |
| SCHEMBL10912325 | 0.80 | ALDH1A1 (0.55) | ALDH1A1TDP1KCNH2CYP19A1ESPL1 | |
| SCHEMBL8398671 | 0.80 | TDP1 (0.49) | ALDH1A1TDP1KCNH2CYP19A1MAPT | |
| SCHEMBL28026694 | 0.80 | TDP1 (0.49) | ALDH1A1TDP1KCNH2CYP19A1MAPT | |
| SCHEMBL11509569 | 0.79 | ALDH1A1 (0.65) | ALDH1A1TDP1KCNH2CYP19A1ESPL1 |
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-112088151-A | Process for producing fluoromethyl derivative | 大金工业株式会社 | 2020-12-15 | — | — | CN | disclosed |