Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 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 | |
|---|---|---|---|---|
| SCHEMBL8512088 | 0.86 | S100A4 (0.45) | ALDH1A1TSHRL3MBTL1NPC1RAB9A | |
| SCHEMBL890949 | 0.84 | S100A4 (0.43) | ALDH1A1TSHRL3MBTL1NPC1RAB9A | |
| SCHEMBL3340081 | 0.84 | NOS3 (0.42) | ALDH1A1TSHRL3MBTL1GAAKMT2A | |
| SCHEMBL3432288 | 0.83 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1NPC1RAB9AKMT2A | |
| SCHEMBL29426573 | 0.82 | — | — | |
| SCHEMBL570133 | 0.82 | — | — | |
| SCHEMBL28338128 | 0.79 | SGMS2 (0.37) | ALDH1A1KMT2ACYP1A2CYP2C19CTSL | |
| SCHEMBL10768091 | 0.78 | NFE2L2 (0.46) | ALDH1A1SMN1; SMN2GAAIDO1PTPRC | |
| SCHEMBL3341430 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TSHRSMN1; SMN2GAAKMT2A | |
| SCHEMBL28337559 | 0.78 | TRIM24 (0.44) | ALDH1A1L3MBTL1NPC1RAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112852770-B | Alcohol dehydrogenase mutant and application thereof in preparing chiral diaryl alcohol compound by efficient asymmetric reduction | 中国科学院天津工业生物技术研究所 | 2022-01-07 | — | — | CN | disclosed |
| CN-112852770-A | Alcohol dehydrogenase mutant and application thereof in preparing chiral diaryl alcohol compound by efficient asymmetric reduction | 中国科学院天津工业生物技术研究所 | 2021-05-28 | — | — | CN | disclosed |
| EP-1613613-A4 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2009-03-25 | — | — | EP | disclosed |
| EP-1613613-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004091518-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2004-10-28 | — | — | WO | disclosed |