Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11795463 | 0.85 | RAB9A (0.43) | GAAAKR1C3ALDH1A1MAPTHTR2A | |
| SCHEMBL11394788 | 0.84 | GAA (0.47) | GAAAKR1C3ALDH1A1MAPTHTT | |
| SCHEMBL11802715 | 0.83 | ALDH1A1 (0.47) | GAAALDH1A1MAPTHTTRAB9A | |
| SCHEMBL10458677 | 0.78 | AKR1C3 (0.50) | GAAAKR1C3ALDH1A1MAPTHTT | |
| SCHEMBL6141208 | 0.74 | HTR2A (0.64) | GAAAKR1C3ALDH1A1MAPTHTT | |
| SCHEMBL27787126 | 0.72 | HTR2A (0.55) | GAAAKR1C3ALDH1A1MAPTHTT | |
| SCHEMBL8247254 | 0.72 | HTR2A (0.60) | AKR1C3ALDH1A1MAPTHTTHTR2A | |
| SCHEMBL26781840 | 0.71 | HTR2A (0.56) | AKR1C3ALDH1A1MAPTHTTHTR2A | |
| SCHEMBL11384979 | 0.70 | — | — | |
| SCHEMBL29171050 | 0.70 | HTR2A (0.59) | AKR1C3ALDH1A1MAPTHTTHTR2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4258040-A | Cephalosporin compounds | MERCK & CO., INC. (US) | 1981-03-24 | — | — | US | disclosed |
| US-4060687-A | Cephalosporins having a 3-α substituted alkyl grouping | MERCK & CO., INC. (US) | 1977-11-29 | — | — | US | disclosed |
| US-3947413-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1976-03-30 | — | — | US | disclosed |