Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL925116 | 0.88 | TSHR (0.47) | TSHRCYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL926155 | 0.88 | TSHR (0.47) | TSHRCYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL927464 | 0.88 | TSHR (0.47) | TSHRCYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL928220 | 0.88 | TSHR (0.47) | TSHRCYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL246286 | 0.86 | TSHR (0.50) | TSHRCYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8208661 | 0.86 | TSHR (0.56) | TSHRSIGMAR1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9810822 | 0.84 | TSHR (0.57) | TSHRSIGMAR1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28087019 | 0.84 | TSHR (0.57) | TSHRSIGMAR1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1312040 | 0.83 | TSHR (0.47) | TSHR | |
| SCHEMBL5093977 | 0.83 | MAOB (0.45) | TSHRLMNAMAOBMAOAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4990505-A | Treating asthma, bronchitis; adrenergic stimulants | GLAXO GROUP LIMITED (GB) | 1991-02-05 | — | — | US | disclosed |