Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.57 |
| ▸ | BACE1 | P56817 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 2/20 | 0.47 |
| ▸ | GPR6 | P46095 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | RAD52 | P43351 | 1/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6864390 | 0.85 | CXCR4 (0.47) | BACE1ALDH1A1HRH3ACKR3RAD52 | |
| SCHEMBL6863056 | 0.84 | GAA (0.58) | ACHEBACE1BCHEHRH3RAD52 | |
| SCHEMBL7038365 | 0.82 | CYP2D6 (0.49) | ALDH1A1ACKR3 | |
| SCHEMBL7109016 | 0.82 | ACKR3 (0.49) | HRH3DRD4GPR6ACKR3CHRM3 | |
| SCHEMBL6863613 | 0.82 | KDM4E (0.62) | ACHEBACE1ALDH1A1KDM4EBCHE | |
| SCHEMBL8724427 | 0.81 | ALDH1A1 (0.49) | ALDH1A1MAPTACKR3CHRM3 | |
| SCHEMBL7109288 | 0.80 | POLB (0.63) | ACHEBACE1ALDH1A1KDM4EBCHE | |
| SCHEMBL6865191 | 0.77 | CHRM2 (0.57) | ALDH1A1KDM4EHTTDRD4ACKR3 | |
| SCHEMBL12854 | 0.76 | HRH3 (0.67) | ALDH1A1KDM4EHTTHRH3MAPT | |
| SCHEMBL29447423 | 0.76 | HRH3 (0.67) | ALDH1A1KDM4EHTTHRH3MAPT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5817489-A | BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES | ISIS PHARMACEUTICALS, INC. (US) | 1998-10-06 | — | — | US | claimed |
| US-6800444-B1 | USEFUL AS ANTIBACTERIAL AND OTHER PHARMACEUTICAL AGENTS/INTERMEDIATES | ISIS PHARMACEUTICALS, INC. | 2004-10-05 | — | — | US | disclosed |
| US-6660466-B1 | Reacting reactive appendage compounds such as meta benzylic compounds or alpha-amide compounds with scaffold molecules having reactive functionalities and contacting the intermediate library with a reducing agent | ISIS PHARMACEUTICALS, INC. | 2003-12-09 | — | — | US | disclosed |
| US-6150129-A | USEFUL AS ANTIBACTERIAL AND OTHER PHARMACEUTICAL AGENTS AND AS INTERMEDIATES FOR PREPARATION OF OTHER PHARMACEUTICAL AGENTS | ISIS PHARMACEUTICALS, INC. (US) | 2000-11-21 | — | — | US | disclosed |
| US-5817489-A | BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES | ISIS PHARMACEUTICALS, INC. (US) | 1998-10-06 | — | — | US | disclosed |
| US-5798360-A | ANTIBACTERIAL AGENTS | ISIS PHARMACEUTICALS, INC. (US) | 1998-08-25 | — | — | US | disclosed |
| US-5780241-A | ALTERING ELECTROCHEMICAL PROPERTIES BY DECYCLIZATION | ISIS PHARMACEUTICALS, INC. (US) | 1998-07-14 | — | — | US | disclosed |
| WO-1998020349-A1 | COMPLEX CHEMICAL LIBRARIES | ISIS PHARMACEUTICALS, INC. (US) | 1998-05-14 | — | — | WO | disclosed |
| US-5731438-A | BACTERICIDES; DRUGS | ISIS PHARMACEUTICALS, INC. (US) | 1998-03-24 | — | — | US | disclosed |
| WO-1998005332-A1 | NOVEL HETEROCYCLE COMPOSITIONS | ISIS PHARMACEUTICALS, INC. (US) | 1998-02-12 | — | — | WO | disclosed |