Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.63 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.53 |
| ▸ | HTR2A | P28223 | 2/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL8995001 | 0.86 | TAAR1 (0.73) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL5171048 | 0.84 | HTR2A (0.73) | TAAR1HTR2ACHRNB2CHRNA4LMNA | |
| SCHEMBL248883 | 0.84 | HTR2A (0.73) | TAAR1HTR2ACHRNB2CHRNA4LMNA | |
| SCHEMBL9958098 | 0.84 | HTR2A (0.73) | TAAR1HTR2ACHRNB2CHRNA4LMNA | |
| SCHEMBL8011990 | 0.80 | TAAR1 (0.65) | TAAR1SLC6A4SLC6A3SLC6A2CYP1A2 | |
| SCHEMBL11436655 | 0.78 | TAAR1 (0.57) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL247628 | 0.77 | TAAR1 (1.00) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL5005843 | 0.77 | TAAR1 (1.00) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL5351663 | 0.77 | TAAR1 (1.00) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL516439 | 0.77 | TAAR1 (0.59) | TAAR1HTR2ACHRNB2CHRNA4LMNA |
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-4216216-A | TREATING MIGRAINE HEADACHES, ANTI-HISTAMINES | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-08-05 | — | — | US | disclosed |
| US-4182832-A | CURING AGENTS FOR POLYEPOXIDES | CIBA-GEIGY CORPORATION (US) | 1980-01-08 | — | — | US | disclosed |