Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HTR1D | P28221 | 9/20 | 0.53 |
| ▸ | MPO | P05164 | 2/20 | 0.52 |
| ▸ | HTR1B | P28222 | 9/20 | 0.51 |
| ▸ | HTR1A | P08908 | 7/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.51 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | HTR2C | P28335 | 2/20 | 0.49 |
| ▸ | HTR7 | P34969 | 2/20 | 0.49 |
| ▸ | HTR6 | P50406 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | HTR5A | P47898 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8539513 | 0.89 | CYP1A2 (0.64) | CYP1A2CYP2C9CYP2C19HTR1DMPO | |
| SCHEMBL10646261 | 0.89 | HTR1D (0.57) | CYP1A2CYP2C9CYP2C19HTR1DMPO | |
| SCHEMBL9828421 | 0.89 | HTR1D (0.67) | CYP1A2CYP2C9CYP2C19HTR1DMPO | |
| SCHEMBL8538858 | 0.88 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19HTR1DMPO | |
| SCHEMBL9698903 | 0.85 | MTNR1A (0.56) | CYP1A2CYP2C9CYP2C19HTR1DMPO | |
| SCHEMBL10557687 | 0.84 | CYP1A2 (0.76) | CYP1A2CYP2C9CYP2C19HTR1DHTR1B | |
| SCHEMBL9264998 | 0.82 | HTR7 (0.72) | CYP1A2CYP2C9HTR1DMPOHTR1B | |
| SCHEMBL8538964 | 0.82 | HTR1A (0.48) | CYP1A2CYP2C9CYP2C19HTR1DHTR1B | |
| SCHEMBL9329223 | 0.80 | SLC6A4 (0.69) | CYP1A2CYP2C9HTR1DHTR1BHTR1A | |
| SCHEMBL9827891 | 0.79 | HTR1D (0.67) | CYP1A2CYP2C9CYP2C19HTR1DMPO |
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-0496222-B1 | Indole derivatives | MERCK PATENT GMBH (DE) | 1998-09-09 | — | — | EP | disclosed |
| EP-0496222-A1 | Indole derivatives | MERCK PATENT GmbH (DE) | 1992-07-29 | — | — | EP | disclosed |