Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 6/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
| ▸ | TUBB | P07437 | 1/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.33 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.33 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.33 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.33 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.33 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.33 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.33 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL9396266 | 1.00 | KDM4E (0.49) | KDM4EALDH1A1HPGDHSD17B10PMP22 | |
| SCHEMBL9020827 | 0.96 | KDM4E (0.54) | KDM4EALDH1A1HPGDHSD17B10PMP22 | |
| Iodide SCHEMBL9396283 | 0.89 | KDM4E (0.48) | KDM4EALDH1A1HPGDHSD17B10PMP22 | |
| Iodide SCHEMBL9022564 | 0.89 | KDM4E (0.48) | KDM4EALDH1A1HPGDHSD17B10PMP22 | |
| Trifluoroacetic Acid SCHEMBL9395034 | 0.84 | NR1I2 (0.32) | KDM4EALDH1A1HPGDHSD17B10ADRA2B | |
| Trifluoroacetic Acid SCHEMBL9395038 | 0.84 | NR1I2 (0.32) | KDM4EALDH1A1HPGDHSD17B10ADRA2B | |
| Iodide SCHEMBL9397810 | 0.83 | KDM4E (0.48) | KDM4EALDH1A1HPGDHSD17B10PMP22 | |
| Iodide SCHEMBL9020946 | 0.83 | KDM4E (0.48) | KDM4EALDH1A1HPGDHSD17B10PMP22 | |
| Water SCHEMBL9397892 | 0.83 | KDM4E (0.48) | KDM4EALDH1A1HPGDHSD17B10PMP22 | |
| SCHEMBL9744140 | 0.80 | KDM4E (0.56) | KDM4EALDH1A1HPGDHSD17B10PMP22 |
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-5329002-A | Piperazinium protected carboxylic acid antibiotics | HOFFMANN-LA ROCHE INC. (US) | 1994-07-12 | — | — | US | claimed |