Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.50 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.50 |
| ▸ | GLS | O94925 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | AGXT | P21549 | 2/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1448505 | 0.83 | EGFR (0.53) | EGFRERBB2GLSTAAR1IDO1 | |
| SCHEMBL1357383 | 0.82 | EGFR (0.51) | EGFRERBB2GLSTAAR1IDO1 | |
| SCHEMBL78652 | 0.82 | AKR1B1 (0.58) | EGFRERBB2TAAR1SIGMAR1HCAR2 | |
| SCHEMBL28513741 | 0.80 | EGFR (0.50) | EGFRERBB2GLSTAAR1IDO1 | |
| SCHEMBL2578166 | 0.80 | MAPK8 (0.52) | EGFRERBB2TAAR1IDO1AGXT | |
| SCHEMBL27583682 | 0.80 | EGFR (0.50) | EGFRERBB2GLSTAAR1IDO1 | |
| Methane SCHEMBL10697726 | 0.80 | AKR1B1 (0.56) | EGFRERBB2TAAR1SIGMAR1HCAR2 | |
| Hydrochloric Acid SCHEMBL1374336 | 0.80 | AKR1B1 (0.56) | EGFRERBB2TAAR1SIGMAR1IDO1 | |
| SCHEMBL609893 | 0.80 | MAOB (0.51) | EGFRERBB2TAAR1IDO1AGXT | |
| SCHEMBL77287 | 0.80 | EGFR (0.50) | EGFRERBB2GLSTAAR1SIGMAR1 |
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-4329454-A | Cephalosporin compounds | ELI LILLY AND COMPANY (US) | 1982-05-11 | — | — | US | disclosed |
| US-4144391-A | REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE | ELI LILLY AND COMPANY (US) | 1979-03-13 | — | — | US | disclosed |