Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | CA2 | P00918 | 4/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28332018 | 0.79 | POLB (0.55) | ALDH1A1HTTCES2CES1MAPT | |
| SCHEMBL8057301 | 0.79 | CES2 (0.50) | HPGDALDH1A1HTTCES2CES1 | |
| SCHEMBL2384907 | 0.78 | ALDH1A1 (0.50) | HPGDALDH1A1HTTCES2CES1 | |
| SCHEMBL2537515 | 0.78 | ALDH1A1 (0.71) | ALDH1A1HTTCES2CES1MAPT | |
| SCHEMBL3278204 | 0.78 | KDM4E (0.56) | HPGDALDH1A1HTTCES2CES1 | |
| SCHEMBL28904603 | 0.76 | CA1 (0.48) | ALDH1A1HTTCES2CES1MAPT | |
| SCHEMBL27519577 | 0.76 | ALDH1A1 (0.47) | HPGDALDH1A1HTTCES2CES1 | |
| SCHEMBL27641821 | 0.76 | ALDH1A1 (0.47) | HPGDALDH1A1HTTCES2CES1 | |
| SCHEMBL5167275 | 0.74 | NPSR1 (0.46) | ALDH1A1HTTCES2CES1RAB9A | |
| Acetone SCHEMBL28062673 | 0.74 | HPGD (0.73) | HPGDALDH1A1CES2CES1MAPT |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-5998419-A | BACTERICIDES | ISIS PHARMACEUTICALS, INC. (US) | 1999-12-07 | — | — | US | disclosed |
| US-5922872-A | BACTERICIDES AND DRUGS | ISIS PHARMACEUTICALS, INC. (US) | 1999-07-13 | — | — | 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 |