Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 6/20 | 0.71 |
| ▸ | SOS1 | Q07889 | 4/20 | 0.67 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | PGR | P06401 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL9023706 | 0.91 | HTR3A (0.85) | HTR3ASOS1 | |
| SCHEMBL20715423 | 0.91 | CYP2D6 (0.66) | HTR3ASOS1MEN1MAPTKMT2A | |
| SCHEMBL20715427 | 0.90 | CYP2D6 (0.64) | HTR3ASOS1MEN1MAPTKMT2A | |
| SCHEMBL8881095 | 0.89 | HTR3A (0.86) | HTR3ASOS1CYP3A4CYP2D6HRH1 | |
| SCHEMBL7623108 | 0.87 | HTR3A (0.91) | HTR3ASOS1CYP3A4CYP2D6HRH1 | |
| Lerisetron SCHEMBL30669539 | 0.83 | HTR3A (1.00) | HTR3ASOS1 | |
| Lerisetron SCHEMBL141124 | 0.83 | HTR3A (1.00) | HTR3ASOS1 | |
| Lerisetron SCHEMBL29040939 | 0.82 | HTR3A (0.97) | HTR3ASOS1 | |
| SCHEMBL7431298 | 0.81 | HTR3A (1.00) | HTR3ASOS1CYP3A4CYP2D6HRH1 | |
| SCHEMBL7341277 | 0.80 | HTR3A (0.75) | HTR3AMEN1KMT2ACYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5624948-A | TREATMENT OF BRONCHIAL ASTHMA | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 1997-04-29 | — | — | US | disclosed |
| EP-0699668-A1 | 1-(2-BENZIMIDAZOLYL)-1,5-DIAZACYCLOOCTANE DERIVATIVE | Kissei Pharmaceutical Co., Ltd. (JP) | 1996-03-06 | — | — | EP | disclosed |