Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | IL18 | Q14116 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MERTK | Q12866 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 7/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL473956 | 0.86 | AR (0.49) | HTR2AKCNH2PGR | |
| SCHEMBL19972837 | 0.84 | P2RX7 (0.47) | HTR2AKCNH2MAPTLMNAPOLB | |
| SCHEMBL30338514 | 0.84 | P2RX7 (0.47) | HTR2AKCNH2MAPTLMNAPOLB | |
| SCHEMBL479962 | 0.79 | PARP15 (0.49) | HTR2AKCNH2PARP15PARP10PARP2 | |
| SCHEMBL17767019 | 0.76 | CYP3A4 (0.47) | HTR2AKCNH2MAPTKDM4EMEN1 | |
| SCHEMBL30557829 | 0.76 | CYP3A4 (0.47) | HTR2AKCNH2MAPTKDM4EMEN1 | |
| SCHEMBL922673 | 0.76 | HTR2A (0.52) | HTR2AKCNH2PARP15PARP10PARP2 | |
| SCHEMBL14833394 | 0.74 | HTR2A (0.56) | HTR2AKCNH2PARP15PARP10PARP2 | |
| SCHEMBL27585018 | 0.72 | NR4A2 (0.43) | HTR2AKCNH2SLC6A4ALDH1A1EPHX2 | |
| SCHEMBL22406938 | 0.72 | MEN1 (0.47) | HTR2AKCNH2PARP15PARP10PARP2 |
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-2411361-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108902-A1 | 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | disclosed |