Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MARS2 | Q96GW9 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11429229 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 | |
| SCHEMBL463611 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 | |
| SCHEMBL7017234 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 | |
| SCHEMBL11695567 | 0.80 | HSD17B10 (0.54) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 | |
| SCHEMBL6823057 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 | |
| SCHEMBL11034574 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 | |
| SCHEMBL678482 | 0.78 | HSD17B10 (0.52) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 | |
| SCHEMBL2853294 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 | |
| SCHEMBL18293567 | 0.78 | ALDH1A1 (0.58) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 | |
| SCHEMBL27963144 | 0.78 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TSHRMAPTCYP1A2 |
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-108698982-A | FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF | 日产化学工业株式会社 | 2018-10-23 | — | — | CN | disclosed |