Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29067517 | 0.81 | KMT2A (0.44) | HPGDMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL29067509 | 0.79 | RAB9A (0.41) | NPC1RAB9AHPGDMAPTMEN1 | |
| SCHEMBL29067546 | 0.78 | KCNQ2 (0.38) | NPC1RAB9AHPGDTAS1R3TAS1R1 | |
| SCHEMBL29067537 | 0.71 | MAPT (0.41) | NPC1RAB9AHPGDMAPTMEN1 | |
| SCHEMBL20076833 | 0.70 | RAB9A (0.49) | NPC1RAB9AHPGDPDK1PDK2 | |
| SCHEMBL29067540 | 0.67 | MEN1 (0.37) | NPC1RAB9AHPGDMAPTMEN1 | |
| SCHEMBL11404618 | 0.67 | PDK1 (0.47) | NPC1RAB9AHPGDPDK1PDK2 | |
| SCHEMBL29067512 | 0.65 | RAB9A (0.38) | NPC1RAB9AHPGDMEN1KMT2A | |
| SCHEMBL29067530 | 0.65 | KMT2A (0.38) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL12321558 | 0.65 | PDK1 (0.45) | NPC1RAB9AHPGDPDK1PDK2 |
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-116462598-B | Allyl arylamine compound and preparation method and application thereof | 成都市第二人民医院 | 2024-08-09 | — | — | CN | disclosed |
| CN-116462598-A | Allyl arylamine compound and preparation method and application thereof | 成都市第二人民医院 | 2023-07-21 | — | — | CN | disclosed |