Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.55 |
| ▸ | CES1 | P23141 | 5/20 | 0.55 |
| ▸ | BCHE | P06276 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9448980 | 0.85 | CES2 (0.52) | CES2CES1BCHEHPGDALDH1A1 | |
| Water SCHEMBL28342642 | 0.76 | CES2 (0.61) | CES2CES1BCHEHPGDALB | |
| SCHEMBL3184940 | 0.72 | CES2 (1.00) | CES2CES1BCHEHPGDALB | |
| SCHEMBL3440833 | 0.72 | CES2 (0.74) | CES2CES1BCHEHPGDALB | |
| SCHEMBL7613879 | 0.72 | ALDH1A1 (0.56) | HPGDALDH1A1MEN1KMT2AHTT | |
| SCHEMBL8715511 | 0.71 | ALDH1A1 (0.42) | HPGDALDH1A1MEN1KMT2AHTT | |
| SCHEMBL9449288 | 0.70 | CES2 (0.52) | CES2CES1HPGDALDH1A1MEN1 | |
| SCHEMBL9448877 | 0.70 | GPR52 (0.45) | HPGDALDH1A1MEN1KMT2AHTT | |
| SCHEMBL9448951 | 0.70 | ALDH1A1 (0.46) | HPGDALDH1A1MEN1KMT2AHTT | |
| SCHEMBL31537534 | 0.70 | CES2 (0.71) | CES2CES1BCHEHPGDALB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0722448-A4 | O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY | MERCK & CO INC (US) | 1998-04-29 | — | — | EP | disclosed |
| EP-0722448-A1 | O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY | MERCK & CO. INC. (US) | 1996-07-24 | — | — | EP | disclosed |