Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 2/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.31 |
| ▸ | BRD7 | Q9NPI1 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1989249 | 0.88 | ACHE (0.41) | ACHEALDH1A1MAPTTSHRLMNA | |
| Hydrochloric Acid SCHEMBL2031981 | 0.84 | ACHE (0.38) | ACHEALDH1A1MAPTTSHRLMNA | |
| Hydrochloric Acid SCHEMBL2031976 | 0.84 | ACHE (0.38) | ACHEALDH1A1MAPTTSHRLMNA | |
| SCHEMBL9016341 | 0.82 | LMNA (0.38) | ACHEELANEMEN1NPC1RAB9A | |
| SCHEMBL2031979 | 0.82 | ACHE (0.36) | ACHEALDH1A1MAPTTSHRLMNA | |
| SCHEMBL25060870 | 0.78 | ALDH1A1 (0.37) | ACHEELANEMEN1NPC1RAB9A | |
| SCHEMBL12736909 | 0.78 | ALDH1A1 (0.39) | ACHENPC1RAB9AALDH1A1MAPT | |
| SCHEMBL5680509 | 0.78 | ACHE (0.33) | ACHEALDH1A1MAPT | |
| SCHEMBL16449699 | 0.78 | TOP1 (0.38) | ELANEMEN1NPC1RAB9AKMT2A | |
| SCHEMBL6248171 | 0.77 | CYP2A6 (0.44) | ACHEALDH1A1MAPTTSHRLMNA |
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-111417618-B | Process for preparing enantiomerically and diastereomerically enriched cyclobutane amines and amides | 先正达参股股份有限公司 | 2023-06-30 | — | — | CN | disclosed |