Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL177882 | 0.90 | ALDH1A1 (0.53) | CYP1A2SMN1; SMN2CYP2C19ALDH1A1TSHR | |
| SCHEMBL29993219 | 0.90 | ALDH1A1 (0.53) | CYP1A2SMN1; SMN2CYP2C19ALDH1A1TSHR | |
| SCHEMBL5169143 | 0.80 | ALDH1A1 (0.65) | CYP1A2SMN1; SMN2ALDH1A1TSHRHRH1 | |
| SCHEMBL7167984 | 0.78 | CYP1A2 (0.66) | CYP1A2SMN1; SMN2CYP2C19ALDH1A1TSHR | |
| SCHEMBL949945 | 0.78 | HRH1 (0.55) | CYP1A2SMN1; SMN2CYP2C19ALDH1A1HRH1 | |
| SCHEMBL11455318 | 0.77 | HRH1 (0.58) | CYP1A2SMN1; SMN2CYP2C19ALDH1A1HRH1 | |
| Acetic Acid SCHEMBL28402664 | 0.77 | CYP1A2 (0.59) | CYP1A2SMN1; SMN2CYP2C19ALDH1A1TSHR | |
| SCHEMBL5017190 | 0.76 | CYP1A2 (0.55) | CYP1A2SMN1; SMN2CYP2C19ALDH1A1TSHR | |
| SCHEMBL6245103 | 0.75 | CYP1A2 (0.58) | CYP1A2SMN1; SMN2CYP2C19ALDH1A1TSHR | |
| Bicarbonate SCHEMBL28733244 | 0.75 | CYP1A2 (0.61) | CYP1A2SMN1; SMN2CYP2C19ALDH1A1TSHR |
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-1313751-B1 | NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY | BASILEA PHARMACEUTICA AG (CH) | 2008-09-17 | — | — | EP | disclosed |