Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 4/20 | 0.50 |
| ▸ | DRD3 | P35462 | 4/20 | 0.50 |
| ▸ | DRD4 | P21917 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL6858059 | 0.88 | KDM4E (0.59) | ALDH1A1HTR1ADRD2DRD3DRD4 | |
| SCHEMBL6863207 | 0.87 | DRD2 (0.54) | ALDH1A1HTR1ADRD2DRD3DRD4 | |
| SCHEMBL7184572 | 0.86 | ALDH1A1 (0.62) | ALDH1A1MEN1KMT2AHTR1ADRD2 | |
| SCHEMBL6863604 | 0.83 | DRD2 (0.53) | ALDH1A1HTR1ADRD2DRD3OPRM1 | |
| SCHEMBL6858056 | 0.82 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2ASMN1; SMN2GAA | |
| SCHEMBL7109637 | 0.82 | HTR1A (0.52) | ALDH1A1HTR1ADRD2DRD3DRD4 | |
| SCHEMBL8723295 | 0.79 | HTR1A (0.52) | ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2 | |
| SCHEMBL16226986 | 0.78 | ALDH1A1 (0.82) | ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2 | |
| SCHEMBL6864524 | 0.74 | KDM4E (0.68) | ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2 | |
| SCHEMBL6100643 | 0.74 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2 |
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-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 |