Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.34 |
| ▸ | PLD2 | O14939 | 1/20 | 0.34 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HRH1 | P35367 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | CD69 | Q07108 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8131373 | 1.00 | CYP1A2 (0.39) | CYP1A2SRD5A2MAOAMAOBDAO | |
| SCHEMBL461357 | 0.80 | HDAC8 (0.42) | CYP1A2ALOX15PLD2PLD1KDM4E | |
| SCHEMBL12471893 | 0.77 | ESR2 (0.40) | CYP1A2SRD5A2MAOAMAOBTSHR | |
| SCHEMBL9681128 | 0.77 | ALDH1A1 (0.50) | SRD5A2TSHRALDH1A1SRD5A1CD69 | |
| SCHEMBL31548709 | 0.76 | CYP1A2 (0.33) | CYP1A2ALDH1A1PLD2PLD1KDM4E | |
| SCHEMBL20793908 | 0.72 | HCAR2 (0.43) | ALDH1A1KDM4EMAPTKMT2AL3MBTL1 | |
| Bicarbonate SCHEMBL8601125 | 0.71 | CYP1A2 (0.55) | CYP1A2SRD5A2MAOAMAOBDAO | |
| SCHEMBL325503 | 0.71 | — | — | |
| SCHEMBL1067727 | 0.71 | MAOA (0.59) | CYP1A2SRD5A2MAOAMAOBDAO | |
| SCHEMBL29906826 | 0.71 | MAOA (0.59) | CYP1A2SRD5A2MAOAMAOBDAO |
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-116917726-A | Mass spectrometry of organic synthetic compounds | 株式会社岛津制作所 | 2023-10-20 | — | — | CN | claimed |
| CN-116917726-A | Mass spectrometry of organic synthetic compounds | 株式会社岛津制作所 | 2023-10-20 | — | — | CN | disclosed |