Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.39 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.39 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.39 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.39 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21478248 | 0.81 | MAPT (0.40) | MAPK1GABRA2GABRB2ALDH1A1CYP1A2 | |
| SCHEMBL21474573 | 0.74 | ALDH1A1 (0.41) | MAPK1ALDH1A1CYP1A2HPGDXBP1 | |
| SCHEMBL21474579 | 0.73 | HRH1 (0.42) | MAPK1ALDH1A1CYP1A2HPGDXBP1 | |
| SCHEMBL21465505 | 0.67 | PABPC1 (0.57) | ALDH1A1HPGDALOX5ALOX15LMNA | |
| SCHEMBL7638409 | 0.67 | ALDH1A1 (0.53) | MAPK1GABRA2GABRB2ALDH1A1CYP1A2 | |
| SCHEMBL6651607 | 0.67 | MAPK1 (0.47) | MAPK1ALDH1A1HPGDALOX15LMNA | |
| SCHEMBL16803508 | 0.67 | MAPT (0.40) | ALDH1A1CYP1A2HPGDCYP2C19LMNA | |
| SCHEMBL20806394 | 0.66 | ALDH1A1 (0.49) | MAPK1GABRA2GABRB2ALDH1A1CYP1A2 | |
| SCHEMBL21465547 | 0.66 | TUBB4A (0.74) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL8938353 | 0.66 | TUBB4A (0.74) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019199979-A1 | ANTIBACTERIAL COMPOUNDS | THE GENERAL HOSPITAL CORPORATION (US) | 2019-10-17 | — | — | WO | disclosed |