Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 9/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 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 | |
|---|---|---|---|---|
| SCHEMBL9074358 | 1.00 | ALDH1A1 (0.54) | ALDH1A1LMNAMAPTCYP2C9MEN1 | |
| SCHEMBL9074146 | 0.96 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPTCYP2C9MEN1 | |
| SCHEMBL9073060 | 0.96 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPTCYP2C9MEN1 | |
| SCHEMBL9074151 | 0.96 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPTCYP2C9MEN1 | |
| SCHEMBL9073063 | 0.96 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPTCYP2C9MEN1 | |
| SCHEMBL9073080 | 0.91 | ALDH1A1 (0.45) | ALDH1A1LMNAMAPTCYP2C9MEN1 | |
| SCHEMBL9073086 | 0.91 | ALDH1A1 (0.45) | ALDH1A1LMNAMAPTCYP2C9MEN1 | |
| SCHEMBL9074818 | 0.90 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPTCYP2C9MEN1 | |
| SCHEMBL9074821 | 0.90 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPTCYP2C9MEN1 | |
| SCHEMBL9075142 | 0.89 | ESR2 (0.42) | ALDH1A1LMNAMAPTCYP2C9MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0465621-B1 | PARTIALLY FLUORINATED COMPOUNDS | MERCK PATENT GMBH (DE) | 1996-11-13 | — | — | EP | disclosed |
| WO-1991011418-A1 | PARTIALLY FLUORINATED COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-08-08 | — | — | WO | disclosed |