Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | USP5 | P45974 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11878994 | 0.84 | TDP1 (0.37) | CYP2C9CYP2D6HIF1AHTTKDM4E | |
| SCHEMBL11215605 | 0.83 | ADRB2 (0.46) | CYP2C9CYP2D6MEN1KMT2ALMNA | |
| SCHEMBL11216047 | 0.83 | ALOX5 (0.44) | KIF11HTTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL8128296 | 0.80 | ESR1 (0.41) | CYP2C9CYP2D6HIF1ATYRHTT | |
| SCHEMBL3730444 | 0.80 | ESR1 (0.41) | CYP2C9CYP2D6HIF1ATYRHTT | |
| SCHEMBL11213786 | 0.80 | KIF11 (0.48) | KIF11CYP2C9CYP2D6HIF1ATYR | |
| SCHEMBL11520882 | 0.80 | HSD17B10 (0.52) | KIF11CYP2C9CYP2D6HIF1ATYR | |
| SCHEMBL11216605 | 0.78 | HDAC3 (0.44) | SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL11213232 | 0.78 | CA1 (0.47) | CYP2D6RAB9ACA12CA1CA2 | |
| SCHEMBL8122334 | 0.77 | CYP2D6 (0.46) | CYP2D6HIF1AMAPK1LMNA |
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 |