Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21438669 | 0.91 | MEN1 (0.50) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL23009487 | 0.85 | ALDH1A1 (0.47) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL325965 | 0.84 | MEN1 (0.51) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL29041190 | 0.83 | MEN1 (0.47) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL1812608 | 0.82 | LTA4H (0.47) | KDM4E | |
| SCHEMBL12129420 | 0.82 | ALDH1A1 (0.38) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL25334951 | 0.81 | KMT2A (0.55) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| Formaldehyde SCHEMBL29038646 | 0.79 | KMT2A (0.51) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL7698304 | 0.78 | MEN1 (0.43) | ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL29417924 | 0.77 | CYP2C19 (0.53) | ALDH1A1CYP3A4KMT2ACYP1A2CYP2A6 |
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-7601702-B2 | Dutpase Inhibitors | MEDIVIR AB (SE) | 2009-10-13 | — | — | US | disclosed |