Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ASPH | Q12797 | 1/20 | 0.36 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | DTYMK | P23919 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18306112 | 0.82 | ALDH1A1 (0.42) | ALDH1A1TDP1CYP3A4ALOX15CYP1A2 | |
| SCHEMBL4960492 | 0.82 | ALDH1A1 (0.42) | ALDH1A1TDP1CYP3A4ALOX15CYP1A2 | |
| SCHEMBL4849341 | 0.81 | DTYMK (0.47) | ALDH1A1TDP1CYP3A4ALOX15GPR35 | |
| SCHEMBL28318439 | 0.81 | TDP1 (0.41) | ALDH1A1TDP1CYP3A4ALOX15GPR35 | |
| SCHEMBL28036070 | 0.80 | ALDH1A1 (0.43) | ALDH1A1TDP1CYP3A4ALOX15GPR35 | |
| SCHEMBL3342909 | 0.79 | ALDH1A1 (0.41) | ALDH1A1TDP1CYP3A4ALOX15CYP1A2 | |
| SCHEMBL17688824 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TDP1CYP3A4ALOX15MAPT | |
| SCHEMBL4962136 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TDP1CYP3A4ALOX15CYP1A2 | |
| SCHEMBL8068839 | 0.79 | TSHR (0.51) | ALDH1A1TDP1CYP3A4ALOX15GPR35 | |
| SCHEMBL28178997 | 0.79 | ALDH1A1 (0.40) | ALDH1A1TDP1CYP3A4ALOX15GPR35 |
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-118302427-A | Fused ring derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-07-05 | — | — | CN | disclosed |
| WO-2023098880-A1 | FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 上海翰森生物医药科技有限公司 | 2023-06-08 | — | — | WO | disclosed |