Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 14/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23360852 | 1.00 | SIGMAR1 (0.44) | SIGMAR1TSHRTP53CYP1A2CYP3A4 | |
| SCHEMBL30291290 | 0.95 | SIGMAR1 (0.49) | SIGMAR1TSHRTP53CYP1A2CYP3A4 | |
| SCHEMBL23644282 | 0.95 | SIGMAR1 (0.49) | SIGMAR1TSHRTP53CYP1A2CYP3A4 | |
| SCHEMBL11704418 | 0.82 | SIGMAR1 (0.53) | SIGMAR1TSHRTP53CYP1A2CYP3A4 | |
| SCHEMBL30666468 | 0.82 | SIGMAR1 (0.53) | SIGMAR1TSHRTP53CYP1A2CYP3A4 | |
| SCHEMBL23645453 | 0.80 | SIGMAR1 (0.37) | SIGMAR1TSHRTP53CYP1A2CYP3A4 | |
| SCHEMBL23668836 | 0.80 | SIGMAR1 (0.37) | SIGMAR1TSHRTP53CYP1A2CYP3A4 | |
| SCHEMBL6269912 | 0.80 | SIGMAR1 (0.51) | SIGMAR1TSHRTP53CYP1A2CYP3A4 | |
| SCHEMBL3739484 | 0.79 | SIGMAR1 (0.54) | SIGMAR1TSHRTP53CYP1A2CYP3A4 | |
| SCHEMBL23833670 | 0.79 | SIGMAR1 (0.54) | SIGMAR1TSHRTP53CYP1A2CYP3A4 |
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-113087700-B | Spirocyclic tetrahydroquinazolines | 苏州亚盛药业有限公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-114630832-A | Pyrimido-cyclic derivative and application thereof in medicine | 四川海思科制药有限公司 | 2022-06-14 | — | — | CN | disclosed |