Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | RXRA | P19793 | 1/20 | 0.48 |
| ▸ | RXRB | P28702 | 1/20 | 0.48 |
| ▸ | RXRG | P48443 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20173749 | 0.91 | SLC6A3 (0.49) | SLC6A3SLC6A4SLC6A2KDM4EGABRA1 | |
| SCHEMBL10415503 | 0.83 | RXRA (0.59) | RXRARXRBRXRGKDM4EHDAC4 | |
| SCHEMBL10414624 | 0.83 | RXRA (0.51) | RXRARXRBRXRGKDM4EHDAC4 | |
| SCHEMBL20173748 | 0.82 | NR4A2 (0.51) | KDM4EGABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL10414622 | 0.81 | SLC6A3 (0.57) | SLC6A3SLC6A4SLC6A2KDM4ECYP1A2 | |
| SCHEMBL6698627 | 0.81 | CYP46A1 (0.50) | SLC6A3SLC6A4SLC6A2KDM4ECYP1A2 | |
| SCHEMBL13524622 | 0.78 | RXRA (0.51) | SLC6A3SLC6A4SLC6A2RXRARXRB | |
| SCHEMBL29978969 | 0.78 | SLC6A3 (0.71) | SLC6A3SLC6A4SLC6A2KDM4ECYP1A2 | |
| SCHEMBL6797969 | 0.78 | SLC6A3 (0.71) | SLC6A3SLC6A4SLC6A2KDM4ECYP1A2 | |
| SCHEMBL24579589 | 0.78 | SLC6A3 (0.49) | SLC6A3SLC6A4SLC6A2GABRA1GABRG2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-9077694-A | — | — | None | — | — | JP | disclosed |
| JP-H0977694-A | NEW PRODUCTION OF GUAIAZULENE OR ITS DERIVATIVE | TAKASAGO INTERNATL CORP | 1997-03-25 | — | — | JP | disclosed |
| US-4912134-A | Methyl ester substitution | AJINOMOTO COMPANY, INC. (JP) | 1990-03-27 | — | — | US | disclosed |
| US-4859701-A | Azulene derivatives and pharmaceutical compositions containing them | AJINOMOTO CO., INC. (JP) | 1989-08-22 | — | — | US | disclosed |
| EP-0266956-A2 | Azulene derivatives and pharmaceutical compositions containing them | AJINOMOTO CO., INC. (JP) | 1988-05-11 | — | — | EP | disclosed |