Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 13/20 | 0.54 |
| ▸ | CES1 | P23141 | 13/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6706169 | 0.77 | CES2 (0.59) | CES2CES1TSHRDAONAPRT | |
| SCHEMBL7789534 | 0.76 | CES2 (0.56) | CES2CES1TSHRDAONAPRT | |
| SCHEMBL7786583 | 0.74 | CES2 (0.54) | CES2CES1TSHRDAONAPRT | |
| SCHEMBL19439372 | 0.74 | CES2 (0.58) | CES2CES1TSHRDAONAPRT | |
| SCHEMBL28904758 | 0.74 | CES1 (0.68) | CES2CES1TSHRDAONAPRT | |
| SCHEMBL9446819 | 0.74 | CES1 (0.68) | CES2CES1TSHRDAONAPRT | |
| SCHEMBL28669011 | 0.74 | CES1 (0.50) | CES2CES1TSHRDAONAPRT | |
| Benzil SCHEMBL2156589 | 0.72 | CES2 (1.00) | CES2CES1TSHRDAONAPRT | |
| Benzil SCHEMBL9517636 | 0.72 | CES2 (1.00) | CES2CES1TSHRDAONAPRT | |
| Benzil SCHEMBL66 | 0.72 | CES2 (1.00) | CES2CES1TSHRDAONAPRT |
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 |
|---|---|---|---|---|---|---|---|
| CN-1137275-A | O-aryl O-alkyl O-alkenyl and O-alkynyl-macrolides having immunosuppressive activity | MERCK & CO INC (US) | 1996-12-04 | — | — | CN | disclosed |