Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.58 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | FNTA | P49354 | 1/20 | 0.48 |
| ▸ | FNTB | P49356 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | PAM | P19021 | 2/20 | 0.45 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Ethane SCHEMBL10956080 | 0.95 | CES1 (0.58) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL27293995 | 0.95 | CES1 (0.64) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL1493 | 0.95 | CES1 (0.64) | CES1CES2AKR1B1MEN1KMT2A | |
| Hydrogen Sulfide SCHEMBL27809609 | 0.93 | CES1 (0.61) | CES1CES2AKR1B1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3047868 | 0.93 | CES1 (0.61) | CES1CES2AKR1B1MEN1KMT2A | |
| Methylene Chloride SCHEMBL27366334 | 0.91 | CES1 (0.58) | CES1CES2AKR1B1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL29120664 | 0.91 | CES1 (0.58) | CES1CES2AKR1B1MEN1KMT2A | |
| Urea SCHEMBL28745676 | 0.88 | CES1 (0.56) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL11338131 | 0.87 | L3MBTL1 (0.61) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL7196775 | 0.86 | CES1 (0.54) | CES1CES2AKR1B1MEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2010541-A2 | TRANS-FUSED CHROMENOISOQUINOLINES, SYNTHESIS AND METHODS FOR USE | Purdue Research Foundation (US) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007098462-A2 | TRANS-FUSED CHROMENOISOQUINOLINES, SYNTHESIS AND METHODS FOR USE | PURDUE RESEARCH FOUNDATION (US) | 2007-08-30 | — | — | WO | disclosed |
| EP-0812318-B1 | 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS | LUNDBECK & CO AS H (DK) | 2006-02-08 | — | — | EP | disclosed |
| US-6174909-B1 | FOR TREATING ANALGESIA, PSYCHOSIS, CONVULSIONS, EPILEPSY, ANXIETY, MUSCULAR AND MOVEMENT DISORDERS, SPASTIC DISORDERS OR SYMPTOMS OF HUNTINGTON'S OR PARKINSONS DISEASE | H. LUNDBECK A/S (DK) | 2001-01-16 | — | — | US | disclosed |
| US-4334077-A | Stereospecific sulfoxidation of dibenzo thiepins | MERCK & CO., INC. (US) | 1982-06-08 | — | — | US | disclosed |