Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 3/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | TLR2 | O60603 | 1/20 | 0.35 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.35 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.35 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.35 |
| ▸ | ABAT | P80404 | 1/20 | 0.35 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4980644 | 0.80 | ERN1 (0.46) | ALDH1A1TSHRAOX1KDM4EMAPT | |
| SCHEMBL29844287 | 0.78 | ERN1 (0.43) | ALDH1A1TSHRAOX1KDM4EMAPT | |
| SCHEMBL29957113 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TSHRAOX1KDM4EMAPT | |
| SCHEMBL3464851 | 0.78 | ERN1 (0.43) | ALDH1A1TSHRAOX1KDM4EMAPT | |
| SCHEMBL18150099 | 0.78 | DRD1 (0.37) | ALDH1A1TSHRMAPTPDE4BHPGD | |
| SCHEMBL9682039 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TSHRAOX1KDM4EMAPT | |
| SCHEMBL20868703 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TSHRAOX1KDM4EL3MBTL1 | |
| SCHEMBL20869165 | 0.74 | PDE4B (0.53) | ALDH1A1TSHRPDE4BHPGDSMN1; SMN2 | |
| SCHEMBL10304986 | 0.74 | RAB9A (0.45) | ALDH1A1TSHRKDM4EMAPTL3MBTL1 | |
| SCHEMBL6627151 | 0.74 | ALDH1A1 (0.39) | ALDH1A1TSHRKDM4EADORA1RAB9A |
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-0462800-A2 | Inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1991-12-27 | — | — | EP | disclosed |