Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.39 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11210417 | 0.83 | CYP2C9 (0.42) | LMNACYP2C9CYP2D6MEN1KMT2A | |
| SCHEMBL9035355 | 0.80 | BRD4 (0.45) | BRD4HDAC4HDAC7HDAC5TSHR | |
| SCHEMBL11212104 | 0.80 | ESR1 (0.41) | TSHRALOX15LMNACYP2C9CYP3A4 | |
| SCHEMBL9835478 | 0.80 | CYP2C9 (0.46) | BRD4HDAC4HDAC7HDAC5TSHR | |
| SCHEMBL11212918 | 0.78 | CYP1A2 (0.44) | CES2CES1CNR1CYP1A2CYP2C19 | |
| SCHEMBL11212846 | 0.78 | HDAC3 (0.44) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL11217364 | 0.78 | MAPT (0.41) | CES2CES1LMNAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11623648 | 0.78 | CYP2C9 (0.44) | BRD4HDAC4HDAC7HDAC5TSHR | |
| SCHEMBL2306107 | 0.78 | BRD4 (0.44) | BRD4HDAC4HDAC7HDAC5TSHR | |
| SCHEMBL11218666 | 0.78 | ALDH1A1 (0.42) | TSHRLMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4329454-A | Cephalosporin compounds | ELI LILLY AND COMPANY (US) | 1982-05-11 | — | — | US | disclosed |