Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.67 |
| ▸ | RAB9A | P51151 | 1/20 | 0.66 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | CNR1 | P21554 | 1/20 | 0.56 |
| ▸ | CNR2 | P34972 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | GFER | P55789 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL15225851 | 0.81 | SMN1; SMN2 (1.00) | SMN1; SMN2RAB9APOLBHTTCNR1 | |
| Bicarbonate SCHEMBL15226070 | 0.80 | SMN1; SMN2 (0.97) | SMN1; SMN2RAB9APOLBHTTCNR1 | |
| SCHEMBL27979494 | 0.76 | HTT (0.88) | SMN1; SMN2POLBHTTCNR1CNR2 | |
| SCHEMBL612539 | 0.76 | EPHX2 (0.57) | TSHRLMNAKMT2AALDH1A1 | |
| SCHEMBL999566 | 0.76 | NOTUM (0.47) | SMN1; SMN2POLBTSHRKDM4EMEN1 | |
| SCHEMBL27918174 | 0.75 | SMN1; SMN2 (0.73) | SMN1; SMN2RAB9APOLBNPSR1TSHR | |
| SCHEMBL5234913 | 0.74 | KDM4E (0.73) | SMN1; SMN2RAB9APOLBHTTNPSR1 | |
| SCHEMBL4871766 | 0.73 | TSHR (0.68) | SMN1; SMN2RAB9APOLBTSHRMAPT | |
| SCHEMBL29178278 | 0.73 | SMN1; SMN2 (0.75) | SMN1; SMN2HTTCNR1CNR2MAPT | |
| SCHEMBL29178287 | 0.73 | SMN1; SMN2 (0.70) | SMN1; SMN2RAB9AHTTCNR1CNR2 |
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-117736163-A | Phenylpiperazine derivative or pharmaceutical salt thereof, preparation method and application thereof in preparation of pain treatment drugs | 郑州大学第一附属医院 | 2024-03-22 | — | — | CN | claimed |
| CN-117736163-A | Phenylpiperazine derivative or pharmaceutical salt thereof, preparation method and application thereof in preparation of pain treatment drugs | 郑州大学第一附属医院 | 2024-03-22 | — | — | CN | disclosed |