Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.36 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10909378 | 0.79 | HTT (0.62) | HTTHPGDMEN1KMT2ACYP1A2 | |
| SCHEMBL24804434 | 0.79 | HTT (0.50) | HTTHPGDMEN1KMT2ACYP1A2 | |
| SCHEMBL25906289 | 0.77 | CYP2D6 (0.39) | HTTHPGDMEN1KMT2ACYP1A2 | |
| SCHEMBL22888403 | 0.77 | HTT (0.38) | HTTHPGDMEN1KMT2ACYP1A2 | |
| SCHEMBL4429449 | 0.77 | TAAR1 (0.38) | HTTSMN1; SMN2PTGS2SRCALDH1A1 | |
| SCHEMBL18123531 | 0.75 | CYP19A1 (0.47) | CYP3A4PTGS2ALDH1A1AKR1C3PTPN1 | |
| SCHEMBL20660497 | 0.75 | HTT (0.53) | HTTHPGDMEN1KMT2ACYP1A2 | |
| SCHEMBL28250552 | 0.75 | AKR1C3 (0.44) | HTTHPGDMEN1KMT2ACYP1A2 | |
| SCHEMBL27830695 | 0.75 | TAAR1 (0.39) | HTTSMN1; SMN2PTGS1PTGS2SRC | |
| SCHEMBL268243 | 0.74 | MAPK1 (0.54) | MEN1KMT2ASMN1; SMN2TAAR1MAPK1 |
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-2019178119-A1 | AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2019-09-19 | — | — | WO | disclosed |