Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | DHPS | P49366 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL18878582 | 0.77 | CYP2A6 (0.41) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL6121215 | 0.76 | CYP2A6 (0.39) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL3962610 | 0.74 | CYP2A6 (0.38) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL5646366 | 0.74 | CYP2A6 (0.38) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL31009687 | 0.74 | CYP2A6 (0.38) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL4283955 | 0.74 | MAPT (0.45) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL2093940 | 0.74 | CYP2A6 (0.38) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL13736268 | 0.74 | HSP90AA1 (0.39) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL4284782 | 0.72 | MAPT (0.43) | CYP2A6ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL3478461 | 0.71 | RAB9A (0.40) | CYP2A6ALDH1A1MAPTKDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015066371-A1 | SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS | FORUM PHARMACEUTICALS, INC. (US) | 2015-05-07 | — | — | WO | disclosed |