Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | F3 | P13726 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL12447830 | 0.85 | SLC6A3 (0.44) | SLC6A3SLC6A2ABL1ALDH1A1KDM4E | |
| SCHEMBL25549318 | 0.85 | KDM4E (0.45) | SLC6A3SLC6A2ALDH1A1KDM4EHPGD | |
| SCHEMBL21474588 | 0.84 | SLC6A3 (0.46) | SLC6A3SLC6A2ABL1ALDH1A1KDM4E | |
| SCHEMBL12389716 | 0.84 | CA12 (0.47) | ALDH1A1KDM4EHPGDL3MBTL1SRD5A1 | |
| SCHEMBL25600261 | 0.82 | ALDH1A1 (0.43) | SLC6A2ALDH1A1KDM4EHPGDL3MBTL1 | |
| SCHEMBL27617877 | 0.78 | ALDH1A1 (0.56) | SLC6A3SLC6A2ALDH1A1KDM4EHPGD | |
| SCHEMBL3162786 | 0.77 | L3MBTL1 (0.40) | SLC6A3SLC6A2ALDH1A1KDM4EHPGD | |
| SCHEMBL20722748 | 0.74 | KDM4E (0.35) | SLC6A3SLC6A2ALDH1A1KDM4EHPGD | |
| SCHEMBL30968495 | 0.74 | KDM4E (0.35) | SLC6A3SLC6A2ALDH1A1KDM4EHPGD | |
| SCHEMBL14960673 | 0.74 | SLC6A3 (0.40) | SLC6A3SLC6A2ALDH1A1KDM4EHPGD |
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 |