Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ACACA | Q13085 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.47 |
| ▸ | BCL2L11 | O43521 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9847505 | 0.95 | BTK (0.54) | BTKALDH1A1HPGDSQORKDM4E | |
| SCHEMBL28457308 | 0.84 | KMT2A (0.51) | BTKALDH1A1HPGDSQORKDM4E | |
| SCHEMBL31316504 | 0.84 | BTK (0.50) | BTKALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL4260073 | 0.84 | ALDH1A1 (0.73) | BTKALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL15646572 | 0.84 | HPGD (0.54) | BTKALDH1A1HPGDSQORKDM4E | |
| SCHEMBL12607295 | 0.80 | NR1I3 (0.46) | BTKALDH1A1HPGDSQORKDM4E | |
| SCHEMBL29982775 | 0.78 | BTK (0.51) | BTKALDH1A1HPGDSQORKDM4E | |
| SCHEMBL30161832 | 0.78 | BTK (0.51) | BTKALDH1A1HPGDSQORKDM4E | |
| SCHEMBL167603 | 0.77 | TDP1 (0.55) | BTKALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL7071941 | 0.77 | PSMB5 (0.71) | ALDH1A1HPGDKDM4EMEN1KMT2A |
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-115448876-B | Asymmetric transfer hydrogenation method for quinoline | 哈尔滨工业大学（深圳） | 2023-10-31 | — | — | CN | disclosed |
| CN-115448876-A | Asymmetric transfer hydrogenation method for quinoline | 哈尔滨工业大学（深圳） | 2022-12-09 | — | — | CN | disclosed |