Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MC5R | P33032 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1826164 | 0.84 | CYP1A2 (0.52) | AKR1B1CYP1A2CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL3047898 | 0.82 | CYP1A2 (0.62) | AKR1B1CYP1A2CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL10536871 | 0.81 | MAOB (0.55) | AKR1B1CYP1A2CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL5699549 | 0.81 | AKR1B1 (0.57) | AKR1B1CYP1A2CYP2C19CYP2C9MTNR1A | |
| SCHEMBL3951751 | 0.81 | KMT2A (0.51) | AKR1B1CYP1A2CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL3984553 | 0.80 | HPGD (0.56) | HPGDMTNR1ANQO2MAPK1MC5R | |
| SCHEMBL5831439 | 0.78 | AKR1B1 (0.47) | AKR1B1CYP1A2CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL932837 | 0.78 | MC5R (0.63) | AKR1B1CYP1A2CYP2C19CYP2C9DAO | |
| SCHEMBL3894735 | 0.77 | CYP2D6 (0.51) | AKR1B1CYP1A2CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL10425095 | 0.77 | AKR1B1 (0.43) | AKR1B1CYP1A2CYP2C19CYP2C9CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0986549-A1 | DESOXYCYCLODEPSIPEPTIDES AND THEIR USE FOR COMBATTING ENDOPARASITES | Bayer Aktiengesellschaft (DE) | 2000-03-22 | — | — | EP | claimed |
| WO-1998055469-A1 | DESOXYCYCLODEPSIPEPTIDES AND THEIR USE FOR COMBATTING ENDOPARASITES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-12-10 | — | — | WO | claimed |
| WO-2003045375-A1 | NOVEL UTILIZATION OF CYCLOPENTABENZOFURANS | BAYER AKTIENGESELLSCHAFT (DE) | 2003-06-05 | — | — | WO | disclosed |