Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | KLK7 | P49862 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TACR1 | P25103 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 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 | |
|---|---|---|---|---|
| SCHEMBL8380300 | 0.85 | CYP2D6 (0.39) | ALDH1A1HTR1AADRA1DADRA1AADRA1B | |
| Glycolic Acid SCHEMBL8379193 | 0.82 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1KDM4EPLAUMAPT | |
| SCHEMBL8378914 | 0.82 | HTR1A (0.39) | ALDH1A1L3MBTL1KDM4EHTR1AADRA1D | |
| SCHEMBL8636168 | 0.81 | L3MBTL1 (0.47) | ALDH1A1L3MBTL1KDM4EHTR1AADRA1D | |
| SCHEMBL8378989 | 0.73 | ALDH1A1 (0.36) | ALDH1A1L3MBTL1KDM4EHTR1AADRA1D | |
| SCHEMBL8664385 | 0.73 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1KDM4EHTR1AADRA1D | |
| SCHEMBL8382406 | 0.72 | KLK7 (0.38) | L3MBTL1KLK7 | |
| SCHEMBL8379003 | 0.71 | ALDH1A1 (0.36) | ALDH1A1L3MBTL1KDM4EHTR1AADRA1D | |
| SCHEMBL8381832 | 0.71 | ALDH1A1 (0.36) | ALDH1A1L3MBTL1KDM4EHTR1AADRA1D | |
| SCHEMBL8378913 | 0.71 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1HTR1AADRA1DADRA1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5883248-A | QUATERNARY AMMONIUM INTERMEDIATES | ROUSSEL UCLAF (FR) | 1999-03-16 | — | — | US | disclosed |
| US-5763617-A | Cephalosporins | ROUSSEL UCLAF (FR) | 1998-06-09 | — | — | US | disclosed |
| US-5728828-A | A 3-(3-CHLORO- OR IODOPROP-1-EN-1-YL),7-(2-AMINOTHIAZOL-4-YL) ((CARBOXY)(PHENYL)METHOXYIMINO)ACETAMIDO-3-CEPHEM; GRAMNEGATIVE AND -POSITIVE BACTERIA, ESP. ANTIBIOTIC-RESISTANCE STAPHYLOCOCCUS | ROUSSEL UCLAF (FR) | 1998-03-17 | — | — | US | disclosed |
| US-5712266-A | Cephalosporins | ROUSSEL UCLAF (FR) | 1998-01-27 | — | — | US | disclosed |