Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6864373 | 0.88 | ALDH1A1 (0.56) | KMT2AALDH1A1KDM4EHTTMEN1 | |
| SCHEMBL6864374 | 0.85 | ALDH1A1 (0.54) | KMT2AALDH1A1KDM4EHTTSIGMAR1 | |
| SCHEMBL6858172 | 0.84 | DRD4 (0.59) | KMT2ADRD4ALDH1A1SIGMAR1MEN1 | |
| SCHEMBL7109692 | 0.84 | ALDH1A1 (0.48) | KMT2ADRD4ALDH1A1KDM4EHTT | |
| SCHEMBL6864728 | 0.82 | FAAH (0.53) | KMT2ADRD4ALDH1A1MEN1HSD17B10 | |
| SCHEMBL6863601 | 0.82 | ALDH1A1 (0.59) | KMT2AALDH1A1KDM4EHTTSIGMAR1 | |
| SCHEMBL6865538 | 0.78 | ALDH1A1 (0.47) | KMT2AALDH1A1KDM4EHTTTSHR | |
| SCHEMBL15830278 | 0.76 | ALDH1A1 (0.60) | KMT2ADRD4ALDH1A1KDM4EHTT | |
| SCHEMBL17072673 | 0.76 | DRD4 (0.51) | KMT2ADRD4ALDH1A1KDM4EHTT | |
| SCHEMBL6864901 | 0.76 | ALDH1A1 (0.50) | KMT2AALDH1A1KDM4ETSHRGAA |
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 9 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-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 |
| 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 |