Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.50 |
| ▸ | KYNU | Q16719 | 1/20 | 0.50 |
| ▸ | MIF | P14174 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29725697 | 0.82 | KYNU (0.60) | ADRB1ADRA1AKYNUMIFHTR2A | |
| SCHEMBL31564921 | 0.82 | KYNU (0.60) | ADRB1ADRA1AKYNUMIFHTR2A | |
| SCHEMBL29061153 | 0.82 | KYNU (0.60) | ADRB1ADRA1AKYNUMIFHTR2A | |
| SCHEMBL13036600 | 0.82 | KYNU (0.60) | ADRB1ADRA1AKYNUMIFHTR2A | |
| SCHEMBL1512921 | 0.82 | KYNU (0.60) | ADRB1ADRA1AKYNUMIFHTR2A | |
| SCHEMBL1352076 | 0.82 | ADRB1 (0.52) | ADRB1ADRA1AKYNUMIFHTR2A | |
| SCHEMBL1352077 | 0.82 | ADRB1 (0.52) | ADRB1ADRA1AKYNUMIFHTR2A | |
| Hydrochloric Acid SCHEMBL4375905 | 0.81 | KYNU (0.58) | ADRB1ADRA1AKYNUMIFHTR2A | |
| SCHEMBL11845668 | 0.79 | BACE1 (0.36) | ADRA1AKYNULMNAHIF1AKDM4E | |
| SCHEMBL11218425 | 0.79 | PARP1 (0.44) | PARP1ALDH1A1RAB9A |
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 |