Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.34 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL28079694 | 0.88 | NAPRT (0.46) | NOS3NOS1NOS2NAPRTCYP2A6 | |
| SCHEMBL77971 | 0.87 | — | — | |
| SCHEMBL30937183 | 0.87 | — | — | |
| SCHEMBL28293088 | 0.78 | NOS3 (0.43) | NOS3NOS1NOS2CYP2A6RAB9A | |
| SCHEMBL28151639 | 0.72 | GRM5 (0.41) | NOS3NOS1NOS2CYP2A6RAB9A | |
| SCHEMBL5790425 | 0.71 | ALDH1A1 (0.61) | KDM4EALDH1A1L3MBTL1MAPTHTT | |
| O-Xylene SCHEMBL28171675 | 0.70 | TSHR (0.62) | CYP2A6RAB9ANPC1ALDH1A1TSHR | |
| SCHEMBL27329631 | 0.70 | ACHE (0.71) | RAB9ANPC1ALDH1A1TSHRACHE | |
| SCHEMBL14582402 | 0.70 | ALDH1A1 (0.42) | NOS3NOS1NOS2NAPRTKDM4E | |
| SCHEMBL17837436 | 0.69 | CCR1 (0.35) | NOS3NOS2NAPRTKDM4EALDH1A1 |
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-106795177-B | BACE1 inhibitors | 豪夫迈·罗氏有限公司 | 2019-04-23 | — | — | CN | disclosed |