Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Benzylamine SCHEMBL28176559 | 1.00 | ALDH1A1 (0.55) | ALDH1A1CYP2D6CYP3A4NPC1RAB9A | |
| Benzylamine SCHEMBL28176561 | 1.00 | ALDH1A1 (0.55) | ALDH1A1CYP2D6CYP3A4NPC1RAB9A | |
| Benzene SCHEMBL10645418 | 0.81 | HPGD (0.47) | ALDH1A1NPC1RAB9ATP53POLB | |
| Phenylalanine Amide SCHEMBL8844785 | 0.80 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL9525416 | 0.80 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL1515882 | 0.78 | ALDH1A1 (0.57) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL1515881 | 0.78 | ALDH1A1 (0.57) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL1515830 | 0.78 | ALDH1A1 (0.57) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| Hydrazine SCHEMBL28316455 | 0.77 | NOS2 (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| Hydrazine SCHEMBL28876065 | 0.77 | NOS2 (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 |
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-104031009-B | The manufacture method of optical activity tetrahydrofuran -2- carboxylic acids | 东丽精细化工株式会社 | 2017-10-13 | — | — | CN | disclosed |