Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | DUT | P33316 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20640969 | 0.88 | F10 (0.33) | F10DUT | |
| SCHEMBL20640509 | 0.80 | TDP1 (0.31) | F10 | |
| SCHEMBL8494420 | 0.79 | F10 (0.46) | MIFHTTF10 | |
| SCHEMBL20645845 | 0.77 | MIF (0.48) | MIFHTTF10CYP1A2CYP2D6 | |
| SCHEMBL10758499 | 0.75 | MIF (0.42) | MIFHTTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10757347 | 0.74 | MIF (0.46) | MIFHTT | |
| SCHEMBL20645838 | 0.73 | MIF (0.50) | MIFHTTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10756958 | 0.70 | MIF (0.36) | MIFHTTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20640544 | 0.70 | MIF (0.50) | MIFHTTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27526456 | 0.68 | HTT (0.48) | MIFHTTCYP1A2CYP3A4CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3652178-A1 | BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF | H. Hoffnabb-La Roche Ag (CH) | 2020-05-20 | — | — | EP | disclosed |
| WO-2019012063-A1 | BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2019-01-17 | — | — | WO | disclosed |