Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.72 |
| ▸ | HTT | P42858 | 2/20 | 0.72 |
| ▸ | FAAH | O00519 | 1/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.68 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.60 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL12660179 | 0.88 | ALDH1A1 (0.72) | ALDH1A1HTTFAAHKDM4EMEN1 | |
| SCHEMBL4828824 | 0.83 | LMNA (0.56) | ALDH1A1HTTFAAHKDM4EMEN1 | |
| SCHEMBL2925701 | 0.83 | ALDH1A1 (0.59) | ALDH1A1HTTFAAHKDM4EMEN1 | |
| SCHEMBL22422558 | 0.83 | CHRM2 (0.68) | ALDH1A1HTTFAAHKDM4EMEN1 | |
| SCHEMBL3604165 | 0.83 | FAAH (1.00) | FAAHKDM4ELMNASMN1; SMN2MAPT | |
| SCHEMBL7038584 | 0.82 | SMN1; SMN2 (0.59) | ALDH1A1HTTFAAHKDM4EMEN1 | |
| SCHEMBL2850013 | 0.82 | ALDH1A1 (0.70) | ALDH1A1HTTFAAHKDM4EMEN1 | |
| SCHEMBL3047497 | 0.82 | KDM4E (0.71) | ALDH1A1HTTFAAHKDM4EMEN1 | |
| SCHEMBL4838001 | 0.82 | CYP2D6 (0.73) | ALDH1A1FAAHKDM4EMEN1KMT2A | |
| SCHEMBL3093924 | 0.82 | FAAH (0.70) | ALDH1A1HTTFAAHKDM4EMEN1 |
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-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-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 |