Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | CASR | P41180 | 6/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | AGXT | P21549 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8716720 | 0.83 | CASR (0.49) | SLC6A4CASRNPC1RAB9AKMT2A | |
| SCHEMBL8718475 | 0.78 | MAOB (0.48) | CYP1A2CYP2C19NPC1EPHX2RAB9A | |
| SCHEMBL8720161 | 0.78 | TAAR1 (0.48) | CYP1A2AOC3IDO1AGXTTAAR1 | |
| SCHEMBL8714023 | 0.78 | TRPA1 (0.46) | SLC6A4ESR1ESR2CYP1A2CYP2D6 | |
| SCHEMBL8714103 | 0.77 | EPHX2 (0.41) | EPHX2LDHA | |
| SCHEMBL8717242 | 0.77 | ESR1 (0.46) | SLC6A4ESR1ESR2LDHA | |
| SCHEMBL8712989 | 0.76 | MMP1 (0.43) | KMT2A | |
| SCHEMBL8716544 | 0.76 | ESR1 (0.40) | CASRESR1ESR2MEN1NPC1 | |
| SCHEMBL8716608 | 0.76 | KIF11 (0.44) | ESR1ESR2CYP1A2CYP2C19MEN1 | |
| SCHEMBL8713320 | 0.76 | ESR1 (0.38) | ESR1ESR2CYP1A2CYP2D6CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5811293-A | CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-22 | — | — | US | disclosed |