Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | PRKACG | P22612 | 1/20 | 0.41 |
| ▸ | PRKACB | P22694 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11168082 | 0.88 | MAPT (0.44) | GAAMAPTALDH1A1KMT2APOLB | |
| SCHEMBL10989612 | 0.81 | MTNR1A (0.60) | GAAMAPTALDH1A1KMT2APOLB | |
| SCHEMBL12178218 | 0.81 | KMT2A (0.48) | GAAMAPTALDH1A1KMT2APOLB | |
| SCHEMBL27787646 | 0.79 | TAAR1 (0.47) | GAAMAPTALDH1A1KMT2APOLB | |
| SCHEMBL28572444 | 0.79 | GAA (0.47) | GAAMAPTALDH1A1KMT2APOLB | |
| SCHEMBL14788156 | 0.79 | KMT2A (0.47) | GAAMAPTALDH1A1KMT2APOLB | |
| SCHEMBL27848998 | 0.79 | GAA (0.76) | GAAMAPTALDH1A1KMT2AKDM4E | |
| SCHEMBL10010025 | 0.78 | POLB (0.46) | GAAMAPTALDH1A1KMT2APOLB | |
| SCHEMBL11118508 | 0.76 | KDR (0.45) | GAAMAPTALDH1A1KMT2APOLB | |
| SCHEMBL6900277 | 0.76 | ALDH1A1 (0.52) | GAAMAPTALDH1A1KMT2APOLB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115108926-B | Intermediate compound for preparing erdasatinib and preparation method | 上海工程技术大学 | 2023-06-20 | — | — | CN | claimed |
| CN-115108926-A | Intermediate compound for preparing erdastinib and preparation method | 上海工程技术大学 | 2022-09-27 | — | — | CN | claimed |
| CN-115108926-B | Intermediate compound for preparing erdasatinib and preparation method | 上海工程技术大学 | 2023-06-20 | — | — | CN | disclosed |
| CN-115108926-B | Intermediate compound for preparing erdasatinib and preparation method | 上海工程技术大学 | 2023-06-20 | — | — | CN | disclosed |
| CN-115108926-A | Intermediate compound for preparing erdastinib and preparation method | 上海工程技术大学 | 2022-09-27 | — | — | CN | disclosed |
| CN-115108926-A | Intermediate compound for preparing erdastinib and preparation method | 上海工程技术大学 | 2022-09-27 | — | — | CN | disclosed |