Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NR2E1 | Q9Y466 | 5/20 | 0.36 |
| ▸ | PLAU | P00749 | 2/20 | 0.35 |
| ▸ | PLAT | P00750 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 6/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | EDNRA | P25101 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.32 |
| ▸ | HTR2B | P41595 | 3/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28033606 | 0.77 | TRPA1 (0.47) | PLAUTRPA1ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28822486 | 0.71 | KDM1A (0.44) | KDM4EMEN1KMT2APLAUALDH1A1 | |
| SCHEMBL13409321 | 0.69 | LRRK2 (0.36) | KDM4EMEN1KMT2APLAUTRPA1 | |
| SCHEMBL347955 | 0.69 | CNR1 (0.53) | MEN1KMT2AHTR2BHTR1BADRA2A | |
| SCHEMBL16445032 | 0.68 | NAPRT (0.50) | KDM4EHCRTR1HCRTR2ALDH1A1SMN1; SMN2 | |
| SCHEMBL8272297 | 0.67 | PLAU (0.55) | CYP1A2MEN1CYP2C19KMT2APLAU | |
| SCHEMBL28872979 | 0.67 | RAB9A (0.58) | CYP1A2KDM4EMEN1CYP2C19KMT2A | |
| SCHEMBL13729468 | 0.67 | GRM4 (0.33) | CYP1A2KDM4EMEN1CYP2C19KMT2A | |
| SCHEMBL22842968 | 0.67 | HCRTR2 (0.37) | HCRTR1HCRTR2EDNRA | |
| SCHEMBL19604247 | 0.67 | HCRTR2 (0.50) | HCRTR1HCRTR2ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-104918941-A | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2015-09-16 | — | — | CN | disclosed |