Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.39 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 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 | |
|---|---|---|---|---|
| SCHEMBL29188176 | 0.82 | CYP1A2 (0.39) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL7336485 | 0.81 | SMN1; SMN2 (0.47) | SMN1; SMN2MEN1GAAKMT2ACYP1A2 | |
| SCHEMBL11922117 | 0.79 | TSHR (0.42) | SMN1; SMN2MEN1GAAKMT2ACYP1A2 | |
| SCHEMBL11922096 | 0.79 | TSHR (0.42) | SMN1; SMN2MEN1GAAKMT2ACYP1A2 | |
| SCHEMBL476473 | 0.78 | CYP1A2 (0.46) | SMN1; SMN2MEN1GAAKMT2ACYP1A2 | |
| SCHEMBL28432379 | 0.77 | CYP1A2 (0.62) | SMN1; SMN2MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL8392970 | 0.77 | CYP1A2 (0.50) | SMN1; SMN2MEN1GAAKMT2ACYP1A2 | |
| SCHEMBL8392046 | 0.77 | CYP1A2 (0.50) | SMN1; SMN2MEN1GAAKMT2ACYP1A2 | |
| SCHEMBL29057277 | 0.77 | CYP1A2 (0.42) | SMN1; SMN2MEN1GAAKMT2ACYP1A2 | |
| SCHEMBL8397236 | 0.77 | CYP1A2 (0.53) | SMN1; SMN2MEN1GAAKMT2ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115551862-B | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-117355521-A | Heteroaryl inhibitors of plasma kallikrein | 武田药品工业株式会社 | 2024-01-05 | — | — | CN | disclosed |