Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17859467 | 0.81 | ALDH1A1 (0.47) | ALDH1A1MAPTNR4A1NR4A2NR4A3 | |
| SCHEMBL5118299 | 0.81 | ALDH1A1 (0.47) | ALDH1A1MAPTNR4A1NR4A2NR4A3 | |
| SCHEMBL20969720 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPTNR4A1NR4A2NR4A3 | |
| SCHEMBL687318 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPTNR4A1NR4A2NR4A3 | |
| SCHEMBL5116616 | 0.77 | SMN1; SMN2 (0.51) | ALDH1A1DHODHKDM4ENPC1RAB9A | |
| SCHEMBL7556888 | 0.77 | ALDH1A1 (0.45) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL9305472 | 0.76 | APP (0.46) | ALDH1A1MAPTHDAC8ALOX15KDM4E | |
| SCHEMBL20859029 | 0.76 | TLR8 (0.44) | ALDH1A1ALOX15DHODHKDM4EMEN1 | |
| Salicylic Acid SCHEMBL9153103 | 0.73 | SMN1; SMN2 (0.53) | ALDH1A1MAPTALOX15KDM4EHSD17B10 | |
| SCHEMBL1935472 | 0.72 | ALDH1A1 (0.46) | ALDH1A1MAPTHDAC8NR4A1NR4A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5565445-A | ANTIBIOTICS, USEFUL AGAINST METHICILLIN RESISTANT STAPHYLOCOCCUS AUREUS OR STAPHYLOCOCCUS EPIDERMIDIS AND METHICILLIN RESITANT COAGULASE NEGATIVE STAPHYLOCOCCI | MERCK & CO., INC. (US) | 1996-10-15 | — | — | US | disclosed |
| US-5541176-A | ANTIBIOTICS, USEFUL AGAINST METHICILLIN RESISTANT STAPHYLOCOCCUS | MERCK & CO., INC. (US) | 1996-07-30 | — | — | US | disclosed |
| US-5538964-A | ANTIBIOTICS FOR BACTERICIDES | MERCK & CO., INC. (US) | 1996-07-23 | — | — | US | disclosed |
| US-5498777-A | 3-thioheteroaryl cephalosporin compounds, compositions and methods of use | MERCK & CO., INC. (US) | 1996-03-12 | — | — | US | disclosed |
| WO-1996002548-A1 | 3-THIOHETEROARYL CEPHALOSPORIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE | MERCK & CO., INC. (US) | 1996-02-01 | — | — | WO | disclosed |