Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28720949 | 0.86 | TSHR (0.68) | TSHRHSD17B10GAAMAPTSMN1; SMN2 | |
| SCHEMBL1645081 | 0.85 | TSHR (0.53) | TSHRHSD17B10GAAMAPTSMN1; SMN2 | |
| SCHEMBL11577236 | 0.83 | MAPT (0.44) | TSHRHSD17B10GAAMAPTSMN1; SMN2 | |
| SCHEMBL28406321 | 0.81 | TSHR (0.49) | TSHRHSD17B10GAAMAPTSMN1; SMN2 | |
| SCHEMBL3542556 | 0.80 | TSHR (0.48) | TSHRHSD17B10GAAMAPTSMN1; SMN2 | |
| SCHEMBL9721688 | 0.80 | MAPT (0.55) | TSHRHSD17B10MAPTSMN1; SMN2POLB | |
| SCHEMBL13948927 | 0.79 | TSHR (0.57) | TSHRHSD17B10GAAMAPTPOLB | |
| SCHEMBL3266479 | 0.79 | SMN1; SMN2 (0.60) | GAAMAPTSMN1; SMN2AKR1C3AKR1C2 | |
| SCHEMBL8901736 | 0.78 | AKR1C3 (0.51) | GAAMAPTSMN1; SMN2AKR1C3AKR1C2 | |
| SCHEMBL30309542 | 0.77 | TSHR (0.48) | TSHRHSD17B10GAAMAPTSMN1; SMN2 |
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-110845409-B | Method for synthesizing neratinib intermediate | 江苏慧聚药业股份有限公司 | 2022-04-12 | — | — | CN | disclosed |
| CN-110845409-A | Method for synthesizing neratinib intermediate | 海门慧聚药业有限公司 | 2020-02-28 | — | — | CN | disclosed |