Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | METAP2 | P50579 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28293585 | 0.87 | KDM4E (0.44) | CYP2D6CYP1A2CYP2C19METAP2TDP1 | |
| SCHEMBL16256972 | 0.82 | CYP2D6 (0.71) | CYP2D6CYP1A2CYP2C19KMT2ANR1I2 | |
| SCHEMBL28295494 | 0.79 | SIGMAR1 (0.48) | KMT2ASIGMAR1ACHEMEN1MMP2 | |
| SCHEMBL11932504 | 0.78 | CYP2D6 (0.65) | CYP2D6CYP1A2CYP2C19KMT2AMETAP2 | |
| SCHEMBL11887346 | 0.77 | CYP2D6 (0.79) | CYP2D6CYP1A2CYP2C19KMT2ATDP1 | |
| SCHEMBL14542581 | 0.76 | CYP2D6 (0.76) | CYP2D6CYP1A2CYP2C19KMT2ATDP1 | |
| SCHEMBL28295290 | 0.74 | TMEM97 (0.50) | KMT2ASIGMAR1ACHEMEN1TSHR | |
| SCHEMBL28049380 | 0.73 | CYP2D6 (0.61) | CYP2D6CYP1A2CYP2C19KMT2ATDP1 | |
| Hydrochloric Acid SCHEMBL5010879 | 0.73 | DNM1 (0.51) | CYP2D6CYP1A2CYP2C19HIF1ADRD2 | |
| SCHEMBL28295287 | 0.73 | TMEM97 (0.48) | SIGMAR1HTTMMP2MMP3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110123820-A | Arginase inhibitor and its application method | 阿斯利康公司 | 2019-08-16 | — | — | CN | disclosed |
| CN-104857005-B | Arginase inhibitor and its application method | 阿斯利康公司 | 2019-04-26 | — | — | CN | disclosed |