Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.40 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.40 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.40 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.40 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.40 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.40 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.40 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9238450 | 0.90 | EGFR (0.44) | EGFRPTGDR2AKR1B1HTR6MAPT | |
| SCHEMBL8689826 | 0.82 | ACLY (0.48) | EGFRPTGDR2AKR1B1HTR6MAPT | |
| SCHEMBL8687705 | 0.81 | KDM4E (0.53) | EGFRPTGDR2AKR1B1MAPTNPSR1 | |
| SCHEMBL9241871 | 0.77 | EGFR (0.43) | EGFRMAPTLMNAHTTKDM4E | |
| SCHEMBL9236400 | 0.77 | ACLY (0.47) | EGFRMAPTACLYKDM4EKMT2A | |
| SCHEMBL11613647 | 0.77 | EGFR (0.45) | EGFRPTGDR2HTR6MAPTLMNA | |
| SCHEMBL9240535 | 0.76 | EGFR (0.42) | EGFRMAPTLMNAKDM4ETSHR | |
| SCHEMBL9240069 | 0.72 | TUBB4A (0.50) | MAPTNPSR1TUBB4ATUBBTUBA3C | |
| SCHEMBL19547602 | 0.69 | ENPP2 (0.45) | PTGDR2AKR1B1LMNANPSR1KDM4E | |
| SCHEMBL9266263 | 0.68 | OXER1 (0.64) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0639573-A1 | Benzocondensed five membered heterocycles, process of their preparation, their use as drug, as diagnostic means and pharmaceuticals containing it | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-02-22 | — | — | EP | disclosed |