Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | HTR7 | P34969 | 3/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HTR1D | P28221 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL965009 | 1.00 | CA12 (0.54) | CA12CA1CA2CA9CYP17A1 | |
| SCHEMBL7610183 | 0.84 | CA12 (0.55) | CA12CA1CA2CA9CYP17A1 | |
| SCHEMBL7611284 | 0.84 | CA12 (0.55) | CA12CA1CA2CA9CYP17A1 | |
| SCHEMBL7607804 | 0.84 | CA12 (0.55) | CA12CA1CA2CA9CYP17A1 | |
| SCHEMBL8788725 | 0.83 | CA12 (0.57) | CA12CA1CA2CA9CYP17A1 | |
| SCHEMBL8560582 | 0.81 | FADS1 (0.45) | MEN1KMT2ADRD2DRD3ALOX5 | |
| SCHEMBL8560581 | 0.81 | FADS1 (0.45) | MEN1KMT2ADRD2DRD3ALOX5 | |
| SCHEMBL8788607 | 0.81 | DRD2 (0.50) | NOTUMDRD2DRD3 | |
| SCHEMBL25231991 | 0.80 | CA12 (0.51) | CA12CA1CA2CA9CYP17A1 | |
| SCHEMBL14528089 | 0.80 | CA12 (0.65) | CA12CA1CA2CA9CYP17A1 |
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-5804577-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1998-09-08 | — | — | US | disclosed |
| EP-0761673-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-12 | — | — | EP | disclosed |