Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 5/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | TNKS | O95271 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23706344 | 1.00 | MAPK1 (0.38) | MAPK1KDM4EESR1TBXAS1CYP1A2 | |
| SCHEMBL18250749 | 0.88 | JUN (0.35) | MAPK1KDM4ECYP1A2FPR2CYP3A4 | |
| SCHEMBL18084017 | 0.83 | CA12 (0.38) | KDM4ECYP1A2KMT2AMEN1CYP2C19 | |
| SCHEMBL19937739 | 0.83 | OPRD1 (0.31) | FPR2SMN1; SMN2 | |
| SCHEMBL23723019 | 0.79 | CA12 (0.42) | KDM4EFPR2LMNACYP3A4HCAR2 | |
| SCHEMBL1756847 | 0.77 | TBXAS1 (0.40) | MAPK1ESR1TBXAS1CYP1A2KMT2A | |
| SCHEMBL1756842 | 0.77 | TBXAS1 (0.40) | MAPK1ESR1TBXAS1CYP1A2KMT2A | |
| SCHEMBL19827203 | 0.76 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL29279402 | 0.75 | HCAR2 (0.36) | MAPK1KDM4EESR1TBXAS1CYP1A2 | |
| SCHEMBL3986195 | 0.74 | ALDH1A1 (0.33) | KMT2AMEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115124512-A | Cyclic amine derivative and medical use thereof | 东丽株式会社 | 2022-09-30 | — | — | CN | disclosed |