Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | MPO | P05164 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | QPCT | Q16769 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2855808 | 0.89 | ALDH1A1 (0.65) | CYP1A2ALDH1A1HPGDKDM4EMPO | |
| SCHEMBL10289181 | 0.86 | MPO (0.63) | ALDH1A1KDM4EMPOSMN1; SMN2KMT2A | |
| SCHEMBL8692730 | 0.85 | CYP1A2 (0.76) | CYP1A2ALDH1A1HPGDKDM4EMPO | |
| SCHEMBL2861650 | 0.83 | ALDH1A1 (0.69) | CYP1A2ALDH1A1HPGDKDM4EMPO | |
| SCHEMBL2867374 | 0.83 | ALDH1A1 (0.69) | CYP1A2ALDH1A1HPGDKDM4EMPO | |
| SCHEMBL2858296 | 0.83 | ALDH1A1 (0.69) | CYP1A2ALDH1A1HPGDKDM4EMPO | |
| SCHEMBL14560539 | 0.82 | ALDH1A1 (0.73) | CYP1A2ALDH1A1HPGDKDM4EMPO | |
| SCHEMBL2859662 | 0.82 | ALDH1A1 (0.68) | CYP1A2ALDH1A1HPGDKDM4EMPO | |
| SCHEMBL8652560 | 0.81 | MPO (0.72) | CYP1A2ALDH1A1HPGDKDM4EMPO | |
| SCHEMBL9523849 | 0.79 | CYP1A2 (1.00) | CYP1A2ALDH1A1HPGDKDM4EMPO |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023133524-A1 | A PROCESS FOR SYNTHESIZING KETANSERIN | TERRAN BIOSCIENCES, INC. (US) | 2023-07-13 | — | — | WO | disclosed |