Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 4/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2454765 | 0.86 | SIGMAR1 (0.46) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL28533680 | 0.85 | TAAR1 (0.43) | ALDH1A1TAAR1TDP1SMN1; SMN2HTR2A | |
| SCHEMBL28435831 | 0.82 | SIGMAR1 (0.50) | MAOAMAOBSIGMAR1 | |
| SCHEMBL706709 | 0.81 | CALM1 (0.35) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL28524211 | 0.80 | LTA4H (0.53) | TAAR1TDP1MAOBSIGMAR1ATM | |
| SCHEMBL28907495 | 0.80 | TAAR1 (0.52) | TAAR1TDP1SMN1; SMN2MAOBSIGMAR1 | |
| SCHEMBL28536004 | 0.80 | TAAR1 (0.48) | ALDH1A1TAAR1MAOBIDO1TSHR | |
| SCHEMBL28532243 | 0.78 | CYP1A2 (0.52) | CYP2A6HTR2ASIGMAR1CYP1A2 | |
| SCHEMBL16351155 | 0.76 | TDP1 (0.46) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL706873 | 0.76 | CALM1 (0.38) | ALDH1A1HTR2ACALM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230241597-A1 | PLATFORM FOR THE RECOVERY OF TRANSITION METAL CATALYSTS | TEXAS TECH UNIVERSITY SYSTEM | 2023-08-03 | — | — | US | disclosed |
| CN-112387313-B | Tridentate phenanthroline manganese catalyst and application thereof in synthesis of organic silicon/boron compound | 中山大学 | 2022-08-16 | — | — | CN | disclosed |
| CN-106810533-A | A kind of chiral compound and preparation method and metal complex containing '-imine pyridinyl imidazoline | 浙江大学 | 2017-06-09 | — | — | CN | disclosed |