Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | G6PD | P11413 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9861496 | 0.68 | ERBB2 (0.41) | ERBB2 | |
| SCHEMBL49737 | 0.61 | ERBB2 (0.62) | ERBB2MAPTKMT2AHKDC1KDM4E | |
| SCHEMBL9861513 | 0.61 | KDM4E (0.31) | MAPTKMT2ALMNAL3MBTL1KDM4E | |
| SCHEMBL28259188 | 0.59 | ERBB2 (0.59) | ERBB2MAPTKMT2AHKDC1KDM4E | |
| SCHEMBL28856262 | 0.59 | ERBB2 (0.59) | ERBB2MAPTKMT2AHKDC1KDM4E | |
| SCHEMBL3417111 | 0.57 | HKDC1 (0.56) | ERBB2MAPTKMT2AHKDC1KDM4E | |
| SCHEMBL16389583 | 0.55 | ERBB2 (0.38) | ERBB2MAPTKMT2AHKDC1KDM4E | |
| SCHEMBL49620 | 0.55 | ERBB2 (1.00) | ERBB2MAPTKMT2AHKDC1KDM4E | |
| SCHEMBL9861392 | 0.54 | CES2 (0.39) | MAPTALDH1A1HPGD | |
| SCHEMBL30092600 | 0.53 | ERBB2 (0.45) | ERBB2MAPTKMT2AHKDC1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5008425-A | Trifluoromethylation of carbonyl compounds | ETHYL CORPORATION (US) | 1991-04-16 | — | — | US | disclosed |
| US-4871877-A | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-10-03 | — | — | US | disclosed |