Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.40 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.40 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10731579 | 0.90 | TSHR (0.54) | HRH3TSHRALDH1A1CXCR4AOC3 | |
| SCHEMBL2389512 | 0.80 | SIGMAR1 (0.47) | HRH3TSHRALDH1A1CXCR4SIGMAR1 | |
| SCHEMBL303045 | 0.77 | SIGMAR1 (0.44) | HRH3TSHRALDH1A1CXCR4SIGMAR1 | |
| SCHEMBL8453437 | 0.74 | HRH3 (0.42) | HRH3TSHRALDH1A1CXCR4SIGMAR1 | |
| SCHEMBL18429032 | 0.74 | CHRM2 (0.50) | HRH3ALDH1A1CXCR4NPC1RAB9A | |
| SCHEMBL3839354 | 0.72 | HSD11B1 (0.47) | HRH3TSHRALDH1A1SIGMAR1SLC6A3 | |
| SCHEMBL9690903 | 0.72 | CHRM2 (0.51) | HRH3ALDH1A1NPC1RAB9A | |
| SCHEMBL792219 | 0.72 | SIGMAR1 (0.71) | HRH3SIGMAR1SLC6A3 | |
| SCHEMBL11757849 | 0.72 | HRH3 (0.40) | HRH3TSHRALDH1A1CXCR4SIGMAR1 | |
| SCHEMBL6630975 | 0.71 | TDP1 (0.43) | HRH3ALDH1A1CXCR4NPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0925302-A1 | PALLADIUM CATALYZED INDOLIZATION | Merck & Co., Inc. (US) | 1999-06-30 | — | — | EP | claimed |
| WO-1998006725-A1 | PALLADIUM CATALYZED INDOLIZATION | MERCK & CO., INC. (US) | 1998-02-19 | — | — | WO | claimed |