Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.63 |
| ▸ | PNMT | P11086 | 1/20 | 0.58 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2963562 | 1.00 | TAAR1 (0.63) | TAAR1PNMTIDO1TSHRKDM4E | |
| SCHEMBL79190 | 0.87 | TAAR1 (0.59) | TAAR1PNMTIDO1TSHRKDM4E | |
| SCHEMBL1244813 | 0.82 | TAAR1 (0.42) | TAAR1PNMTIDO1ALDH1A1POLB | |
| SCHEMBL29538519 | 0.81 | TAAR1 (0.60) | TAAR1PNMTIDO1TSHRSMN1; SMN2 | |
| SCHEMBL624730 | 0.81 | TAAR1 (0.60) | TAAR1PNMTIDO1TSHRSMN1; SMN2 | |
| SCHEMBL111152 | 0.81 | PNMT (0.62) | TAAR1PNMTIDO1TSHRKDM4E | |
| SCHEMBL15319159 | 0.80 | HSP90AA1 (0.52) | TAAR1PNMTIDO1TSHRALDH1A1 | |
| SCHEMBL23694192 | 0.78 | TAAR1 (0.39) | TAAR1PNMTIDO1CYP1A2CYP3A4 | |
| SCHEMBL29471364 | 0.78 | TAAR1 (0.39) | TAAR1PNMTIDO1CYP1A2CYP3A4 | |
| SCHEMBL17398729 | 0.78 | TAAR1 (0.39) | TAAR1PNMTIDO1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022228490-A1 | POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2022-11-03 | — | — | WO | disclosed |