Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL29220291 | 0.85 | ALDH1A1 (0.49) | NPC1HPGDHSD17B10ALDH1A1KMT2A | |
| SCHEMBL29220298 | 0.82 | NPC1 (0.49) | NPC1HPGDHSD17B10ALDH1A1HTT | |
| SCHEMBL29220314 | 0.81 | HPGD (0.44) | NPC1HPGDHSD17B10ALDH1A1HTT | |
| SCHEMBL754896 | 0.80 | TSHR (0.55) | NPC1HPGDALDH1A1HTTKMT2A | |
| SCHEMBL3328937 | 0.76 | NPC1 (0.47) | NPC1ALDH1A1KMT2AMEN1P2RX7 | |
| SCHEMBL30101811 | 0.74 | KDM4A (0.43) | NPC1HPGDALDH1A1HTTKMT2A | |
| SCHEMBL8225128 | 0.70 | IDO1 (0.41) | ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL4573536 | 0.70 | CHRM2 (0.38) | HPGDALDH1A1HTTKMT2AMEN1 | |
| SCHEMBL16280309 | 0.69 | HSP90AB1 (0.40) | NPC1HPGDALDH1A1KDM4EMAPT | |
| SCHEMBL5769261 | 0.68 | NPC1 (0.71) | NPC1HPGDALDH1A1HTTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-118108669-A | Intermediate for preparing EGFR inhibitor and preparation method thereof | 苏州浦合医药科技有限公司 | 2024-05-31 | — | — | CN | disclosed |