Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK3 | P27361 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13801296 | 0.88 | MAPK3 (0.46) | MAPK3BRD4MAPK1MAPTTSHR | |
| SCHEMBL22605778 | 0.85 | ALDH1A1 (0.45) | ALDH1A1HPGDMAPK1MAPTTSHR | |
| SCHEMBL5365015 | 0.75 | SLC18A3 (0.49) | ALDH1A1TSHRSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL6152397 | 0.75 | SLC18A3 (0.49) | ALDH1A1TSHRSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL13801304 | 0.73 | BRD4 (0.39) | MAPK3ALDH1A1BRD4MAPK1KMT2A | |
| SCHEMBL5857181 | 0.73 | KDM4E (0.47) | ALDH1A1 | |
| SCHEMBL28537777 | 0.73 | FNTA (0.46) | ALDH1A1POLBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9965448 | 0.72 | BRD4 (0.42) | MAPK3ALDH1A1BRD4MAPTTSHR | |
| SCHEMBL27766517 | 0.72 | SMN1; SMN2 (0.44) | MAPK3ALDH1A1MAPK1MAPTHTT | |
| SCHEMBL6689158 | 0.72 | ALDH1A1 (0.74) | ALDH1A1HPGDMAPK1TSHRHTT |
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-1440976-B1 | Modified aminoacids, pharmaceuticals containing these compounds and method for their production | BOEHRINGER INGELHEIM PHARMA (DE) | 2008-07-23 | — | — | EP | disclosed |