Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | DAO | P14920 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9181973 | 0.90 | TAAR1 (0.58) | TAAR1KDM4EHCAR2TSHRALOX5 | |
| SCHEMBL8816288 | 0.88 | TAAR1 (0.56) | TAAR1KDM4ETSHRALOX5CA2 | |
| O-Xylene SCHEMBL9375721 | 0.83 | TSHR (0.50) | KDM4ETSHRCA2ALDH1A1 | |
| O-Xylene SCHEMBL5353236 | 0.83 | TSHR (0.50) | KDM4ETSHRCA2ALDH1A1 | |
| SCHEMBL8596525 | 0.81 | TAAR1 (0.64) | TAAR1KDM4EHCAR2ALOX5CA2 | |
| SCHEMBL8819214 | 0.80 | TAAR1 (0.52) | TAAR1KDM4ETSHRALOX5CA2 | |
| SCHEMBL10111039 | 0.79 | TAAR1 (0.53) | TAAR1KDM4ETSHRHPGDALDH1A1 | |
| SCHEMBL31312727 | 0.79 | TSHR (0.38) | TAAR1KDM4ETSHRCA2HPGD | |
| SCHEMBL18837847 | 0.79 | TAAR1 (0.47) | TAAR1KDM4ETSHRCA2ALDH1A1 | |
| SCHEMBL10694333 | 0.79 | TSHR (0.38) | TAAR1KDM4ETSHRCA2HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103313970-A | Novel bicyclic compound or salt thereof | TAIHO PHARMACEUTICAL CO LTD | 2013-09-18 | — | — | CN | disclosed |
| CN-1263751-C | Novel compounds | ASTRAZENECA AB (SE) | 2006-07-12 | — | — | CN | disclosed |
| CN-1541214-A | Novel compounds | — | 2004-10-27 | — | — | CN | disclosed |