Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 6/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NCF1 | P14598 | 2/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | PRKCI | P41743 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1735647 | 0.82 | PRKCI (0.45) | ADRB1NCF1ADRB2PRKCIKDM4E | |
| SCHEMBL31651946 | 0.80 | HTR3E (0.49) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL1735639 | 0.78 | HRH4 (0.57) | TSHRRECQLKDM4EALDH1A1HPGD | |
| SCHEMBL27538990 | 0.78 | HRH4 (0.47) | ADRB1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL20369843 | 0.78 | ALDH1A1 (0.54) | CYP1A2CYP3A4TSHRCLK4MEN1 | |
| SCHEMBL6284789 | 0.76 | MAPT (0.52) | ADRB1CYP1A2RECQLALDH1A1 | |
| SCHEMBL2366023 | 0.76 | HRH4 (0.46) | ADRB1CYP1A2CYP3A4CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL2366308 | 0.74 | HRH4 (0.45) | ADRB1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL2366124 | 0.74 | ADRB1 (0.50) | ADRB1CYP1A2CYP2D6TSHRHTR3E | |
| SCHEMBL1737167 | 0.74 | CHRNB2 (0.50) | CYP1A2CYP3A4CYP2D6TSHRMEN1 |
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-5578596-A | TREATMENT OF SEROTONERGIC NEURON RELATED DISEASES, MOTION SICKNESS, ANXIXETY, DEPRESSION | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1996-11-26 | — | — | US | disclosed |
| EP-0668276-A1 | 2-ALKOXY-5,6,7,8-TETRAHYDROQUINOXALINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1995-08-23 | — | — | EP | disclosed |