Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HTR2C | P28335 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | TUBB1 | Q9H4B7 | 12/20 | 0.55 |
| ▸ | TUBB4A | P04350 | 10/20 | 0.55 |
| ▸ | TUBB | P07437 | 10/20 | 0.55 |
| ▸ | TUBA3C | P0DPH7 | 10/20 | 0.55 |
| ▸ | TUBA1B | P68363 | 10/20 | 0.55 |
| ▸ | TUBA4A | P68366 | 10/20 | 0.55 |
| ▸ | TUBB4B | P68371 | 10/20 | 0.55 |
| ▸ | TUBB3 | Q13509 | 10/20 | 0.55 |
| ▸ | TUBB2A | Q13885 | 10/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL22562829 | 0.85 | ABL1 (0.59) | CYP1A1CYP1A2GAAHTTKDM4E | |
| SCHEMBL12932876 | 0.84 | CYP1A1 (0.60) | CYP1A1CYP1A2CYP1B1GAAHTT | |
| SCHEMBL5016906 | 0.81 | TUBB1 (0.56) | CYP1A2GAAHTTKDM4EALDH1A1 | |
| SCHEMBL5016909 | 0.81 | TUBB1 (0.56) | CYP1A2GAAHTTKDM4EALDH1A1 | |
| SCHEMBL4608533 | 0.81 | CYP1A1 (0.79) | CYP1A1CYP1A2CYP1B1GAAHTT | |
| SCHEMBL4608535 | 0.81 | CYP1A1 (0.79) | CYP1A1CYP1A2CYP1B1GAAHTT | |
| SCHEMBL2622571 | 0.77 | CYP1A1 (0.67) | CYP1A1CYP1A2CYP1B1GAAHTT | |
| SCHEMBL18923479 | 0.77 | TYR (0.67) | CYP1A2GAAHTTKDM4EALDH1A1 | |
| SCHEMBL2357485 | 0.76 | ABL1 (0.69) | CYP1A1CYP1A2CYP1B1GAAHTT | |
| SCHEMBL2357479 | 0.76 | ABL1 (0.69) | CYP1A1CYP1A2CYP1B1GAAHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3007696-B1 | NOVEL ALLOSTERIC INHIBITORS OF PROTEASOME AND METHODS OF USE THEREOF | UNIV TEXAS (US) | 2019-10-16 | — | — | EP | disclosed |