Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL28682238 | 0.81 | PGR (0.53) | RAB9AMAPTNPC1MAPK1HTT | |
| SCHEMBL1006775 | 0.79 | PGR (0.66) | RAB9AMAPTNPC1MAPK1HTT | |
| Metamfepramone SCHEMBL309430 | 0.77 | PGR (0.63) | RAB9AMAPTNPC1MAPK1HTT | |
| Metamfepramone SCHEMBL10505245 | 0.77 | PGR (0.63) | RAB9AMAPTNPC1MAPK1HTT | |
| SCHEMBL19695429 | 0.76 | TDP1 (0.52) | RAB9AMAPTNPC1MAPK1HTT | |
| SCHEMBL187606 | 0.76 | TDP1 (0.52) | RAB9AMAPTNPC1MAPK1HTT | |
| Metamfepramone SCHEMBL5172661 | 0.75 | PGR (0.61) | RAB9AMAPTNPC1MAPK1HTT | |
| Metamfepramone SCHEMBL22614741 | 0.75 | PGR (0.61) | RAB9AMAPTNPC1MAPK1HTT | |
| SCHEMBL11107521 | 0.75 | MAPT (0.49) | RAB9AMAPTNPC1MAPK1HTT | |
| SCHEMBL27818447 | 0.75 | LMNA (0.51) | RAB9AMAPTNPC1MAPK1HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-20240344013-A1 | METABOLOMIC ANALYSIS | GENENTECH, INC. (US) | 2024-10-17 | — | — | US | disclosed |
| CN-118348106-A | Application of 4-hydrazinoquinazoline in mass spectrometry detection and mass spectrometry detection method of carbonyl-containing micromolecules | 中国科学院化学研究所 | 2024-07-16 | — | — | CN | disclosed |