Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 5/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.49 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.49 |
| ▸ | HTR3B | O95264 | 3/20 | 0.49 |
| ▸ | HTR3A | P46098 | 3/20 | 0.49 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.49 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | CETP | P11597 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 2/20 | 0.42 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.42 |
| ▸ | STK17B | O94768 | 1/20 | 0.42 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23120572 | 0.88 | ADRB1 (0.53) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL3123141 | 0.85 | ADRB1 (0.50) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL30459591 | 0.83 | ADRB1 (0.53) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL3118726 | 0.83 | ADRB1 (0.49) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL5717512 | 0.83 | S1PR1 (0.56) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL27519086 | 0.82 | S1PR1 (0.58) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL177143 | 0.82 | S1PR1 (0.58) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL3716245 | 0.81 | CETP (0.57) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL4969194 | 0.81 | SLC13A5 (0.46) | SIGMAR1KDM4EALDH1A1LMNAMAOA | |
| SCHEMBL3114267 | 0.81 | ADRB1 (0.53) | ADRB1SIGMAR1HTR3EHTR3BHTR3A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002098367-A2 | HYBRID 2-AMINOTETRALIN AND ARYL-SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE IN ALTERING CNS ACTIVITY | WAYNE STATE UNIVERSITY (US) | 2002-12-12 | — | — | WO | disclosed |