Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NOS3 | P29474 | 3/20 | 0.41 |
| ▸ | NOS1 | P29475 | 3/20 | 0.41 |
| ▸ | NOS2 | P35228 | 3/20 | 0.41 |
| ▸ | IL1RN | P18510 | 2/20 | 0.41 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.41 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.41 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.40 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.40 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL4447526 | 0.88 | MME (0.44) | CA2 | |
| SCHEMBL18256473 | 0.82 | KLK5 (0.47) | NOS3NOS1NOS2KCNQ3KCNQ2 | |
| SCHEMBL1519828 | 0.82 | KLK5 (0.47) | NOS3NOS1NOS2KCNQ3KCNQ2 | |
| SCHEMBL1519826 | 0.82 | KLK5 (0.47) | NOS3NOS1NOS2KCNQ3KCNQ2 | |
| SCHEMBL4445933 | 0.82 | ALDH1A1 (0.45) | CYP2C9CYP2C19ALDH1A1KCNQ3KCNQ2 | |
| SCHEMBL13323761 | 0.79 | KLK5 (0.42) | — | |
| SCHEMBL4448480 | 0.79 | ALDH1A1 (0.53) | CYP2C9CYP2C19ALDH1A1TSHRCYP2D6 | |
| Trifluoroacetic Acid SCHEMBL16461603 | 0.77 | ALDH1A1 (0.51) | CYP2C9CYP2C19ALDH1A1THRBHSD17B10 | |
| SCHEMBL13755248 | 0.76 | TSHR (0.65) | CYP2C9CYP2C19ALDH1A1THRBHSD17B10 | |
| SCHEMBL27543181 | 0.76 | ALDH1A1 (0.56) | CYP2C9CYP2C19ALDH1A1THRBHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-7531507-B2 | Acylated nonadepsipeptides containing pyridyl alanine residues | AICURIS GMBH & CO. KG (DE) | 2009-05-12 | — | — | US | disclosed |