Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.63 |
| ▸ | ESR1 | P03372 | 3/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27928272 | 0.87 | ERAP1 (0.64) | ERAP1ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL9755685 | 0.81 | ALDH1A1 (0.63) | ERAP1ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL5326900 | 0.79 | ALDH1A1 (0.60) | ERAP1ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL1608015 | 0.77 | ERAP1 (1.00) | ERAP1ESR1ESR2ALDH1A1MAPT | |
| SCHEMBL5431415 | 0.77 | ERAP1 (0.65) | ERAP1ESR1ESR2ALDH1A1MAPT | |
| SCHEMBL3079215 | 0.75 | ERAP1 (0.63) | ERAP1ESR1ESR2ALDH1A1MAPT | |
| SCHEMBL29038494 | 0.75 | MEN1 (0.63) | ERAP1ESR2ALDH1A1MAPTKMT2A | |
| SCHEMBL5425943 | 0.74 | ERAP1 (0.79) | ERAP1ESR1ESR2ALDH1A1MAPT | |
| SCHEMBL8118207 | 0.72 | ERAP1 (0.72) | ERAP1ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL14498307 | 0.72 | ALDH1A1 (0.56) | ERAP1ESR1ESR2ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007115181-A9 | COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF | EASTMAN CHEM CO (US) | 2008-04-03 | — | — | WO | disclosed |
| WO-2007115181-A2 | COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF | EASTMAN CHEMICAL COMPANY (US) | 2007-10-11 | — | — | WO | disclosed |