Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | SCN4A | P35499 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | TLK2 | Q86UE8 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 3/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27553953 | 0.92 | CYP1A2 (0.40) | CYP1A2SCN4AKMT2AATMFKBP5 | |
| SCHEMBL14691463 | 0.90 | — | — | |
| Pyridine SCHEMBL27717610 | 0.89 | TSHR (0.39) | CYP1A2SCN4AHPGDAKR1B1KDM4E | |
| Biphenyl SCHEMBL27347359 | 0.89 | CYP1A2 (0.48) | CYP1A2SCN4AATMHPGDKDM4E | |
| Methyl Alcohol SCHEMBL27901542 | 0.88 | — | — | |
| Bromide SCHEMBL6828982 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL3066544 | 0.87 | — | — | |
| SCHEMBL11707384 | 0.87 | — | — | |
| SCHEMBL28767768 | 0.87 | — | — | |
| SCHEMBL28346441 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8399473-B2 | Macrocyclic spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease | Merck, Sharp & Dohme, Corp. (US) | 2013-03-19 | — | — | US | claimed |