Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | APP | P05067 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1099 | 0.82 | CA1 (0.58) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL28441075 | 0.76 | CA1 (0.65) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL9648022 | 0.76 | CA1 (0.65) | CA1CA2CA7CA9CA12 | |
| SCHEMBL10300057 | 0.76 | APP (0.77) | CA1CA2CA7CA9CA12 | |
| SCHEMBL674764 | 0.76 | APP (0.77) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4082593 | 0.76 | CA1 (0.65) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL21802643 | 0.74 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL8489 | 0.74 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| SCHEMBL9715639 | 0.74 | APP (0.74) | CA1CA2CA7CA9CA12 | |
| SCHEMBL497836 | 0.74 | CA1 (0.61) | CA1CA2CA7CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1725537-B1 | NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-07-13 | — | — | EP | claimed |
| EP-3112352-B1 | OPIOID RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2018-11-21 | — | — | EP | disclosed |
| EP-3112352-A1 | OPIOID RECEPTOR MODULATORS | Janssen Pharmaceutica NV (BE) | 2017-01-04 | — | — | EP | disclosed |
| EP-2653465-B1 | Opioid receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2016-07-13 | — | — | EP | disclosed |
| EP-2573068-B9 | Process for preparing intermediates of compounds useful as opioid receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2015-08-26 | — | — | EP | disclosed |
| EP-2573068-B1 | Process for preparing intermediates of compounds useful as opioid receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2014-12-31 | — | — | EP | disclosed |
| EP-2653465-A1 | Opioid receptor modulators | Janssen Pharmaceutica NV (BE) | 2013-10-23 | — | — | EP | disclosed |
| EP-2298744-B1 | Opioid receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2013-06-26 | — | — | EP | disclosed |
| EP-2573068-A1 | Process for preparing intermediates of compounds useful as opioid receptor modulators | Janssen Pharmaceutica NV (BE) | 2013-03-27 | — | — | EP | disclosed |
| EP-1725537-B1 | NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-07-13 | — | — | EP | disclosed |
| EP-2298744-A2 | Opioid receptor modulators | Janssen Pharmaceutica NV (BE) | 2011-03-23 | — | — | EP | disclosed |