Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.63 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.63 |
| ▸ | HTR3B | O95264 | 3/20 | 0.63 |
| ▸ | HTR3A | P46098 | 3/20 | 0.63 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.63 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | GMNN | O75496 | 1/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | MTOR | P42345 | 1/20 | 0.63 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7304481 | 0.79 | CYP2D6 (0.67) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| Bemesetron SCHEMBL195147 | 0.78 | CYP2D6 (1.00) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| Bemesetron SCHEMBL29430183 | 0.78 | CYP2D6 (1.00) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| Bemesetron SCHEMBL195148 | 0.78 | CYP2D6 (1.00) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| Bemesetron SCHEMBL10765684 | 0.78 | CYP2D6 (1.00) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| Bemesetron SCHEMBL5790539 | 0.78 | CYP2D6 (1.00) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL7299830 | 0.78 | GAA (0.72) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL7293406 | 0.78 | GAA (0.68) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7291276 | 0.77 | CYP2D6 (0.69) | CYP2D6HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL7295017 | 0.76 | GAA (0.70) | CYP2D6HTR3EHTR3BHTR3AHTR3D |
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-5252570-A | Amidino and guanidino derivatives | B.I. ITALIA (IT) | 1993-10-12 | — | — | US | disclosed |
| US-5047410-A | Indolyl derivatives and their use as 5-HT3, receptor antagonists | ISTITUTO DE ANGELI S.P.A. (IT) | 1991-09-10 | — | — | US | disclosed |
| EP-0351385-A2 | New amidino and guanidino derivatives | BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) | 1990-01-17 | — | — | EP | disclosed |