Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | MLYCD | O95822 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11401374 | 0.84 | TP53 (0.47) | ACHETP53 | |
| SCHEMBL17915946 | 0.81 | TP53 (0.43) | ACHETP53ALDH1A1KIF11MEN1 | |
| SCHEMBL9712169 | 0.80 | ALOX5 (0.56) | PTGS2NOTUMKDM4EALDH1A1TSHR | |
| SCHEMBL30720446 | 0.76 | DHFR (0.44) | ACHETP53CYP3A4DHFRHRH3 | |
| SCHEMBL981604 | 0.75 | TP53 (0.42) | TP53NOTUMKDM4EALDH1A1 | |
| SCHEMBL11027181 | 0.75 | TP53 (0.42) | ACHETP53TDP1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL28999664 | 0.73 | TP53 (0.41) | TP53NOTUMAKR1C3KDM4EALDH1A1 | |
| SCHEMBL28229221 | 0.70 | NOTUM (0.38) | CYP3A4PTGS2NOTUMCA12CA2 | |
| SCHEMBL29222359 | 0.69 | TP53 (0.55) | TP53CA12CA2TDP1KDM4E | |
| SCHEMBL28650484 | 0.69 | CA12 (0.65) | CYP3A4NOTUMCA12CA2CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022132803-A1 | CB2 RECEPTOR AGONISTS | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2022-06-23 | — | — | WO | disclosed |
| WO-2022132803-A1 | CB2 RECEPTOR AGONISTS | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2022-06-23 | — | — | WO | disclosed |