Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL988203 | 0.95 | CES1 (0.56) | CES1NPC1TTRTDP1LMNA | |
| SCHEMBL1762224 | 0.81 | CES1 (0.57) | CES1CYP11B1CYP11B2 | |
| SCHEMBL6306471 | 0.80 | CES1 (0.60) | CES1NPC1TTRTDP1KMT2A | |
| SCHEMBL7247820 | 0.78 | CES1 (0.49) | CES1HTR2CHTR2BCYP11B1CYP11B2 | |
| SCHEMBL31649829 | 0.78 | CES1 (0.49) | CES1HTR2CHTR2BCYP11B1CYP11B2 | |
| SCHEMBL6989332 | 0.77 | NPC1 (0.46) | NPC1TTRTDP1LMNAKMT2A | |
| SCHEMBL29876651 | 0.73 | HTR1A (0.37) | CES1NPC1TTRTDP1KMT2A | |
| SCHEMBL2265656 | 0.73 | HTR1A (0.36) | CES1NPC1TTRTDP1KMT2A | |
| SCHEMBL29876547 | 0.73 | HTR2A (0.36) | CES1NPC1TTRTDP1LMNA | |
| SCHEMBL14977292 | 0.73 | CES1 (0.42) | CES1KMT2AMEN1MAPTHTR2C |
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 |
|---|---|---|---|---|---|---|---|
| US-5198437-A | 5-hydroxytryptamine antagonist | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1993-03-30 | — | — | US | disclosed |
| US-4985420-A | 5-HYDROXYTRYPTAMINE RECEPTOR ANTAGONISTS | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1991-01-15 | — | — | US | disclosed |
| EP-0322016-A1 | 1,7-Annelated indolecarboxylic acid esters and -amides | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1989-06-28 | — | — | EP | disclosed |