Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | EBP | Q15125 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11644696 | 0.88 | CYP2D6 (0.49) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL11649774 | 0.83 | CYP2D6 (0.49) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL11652005 | 0.82 | CYP2D6 (0.48) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL11648703 | 0.82 | CYP2D6 (0.55) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL11651238 | 0.80 | CYP2D6 (0.57) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL11651036 | 0.79 | NOS2 (0.49) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL11592409 | 0.79 | CYP2D6 (0.55) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL11592628 | 0.79 | CYP2D6 (0.58) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL11648428 | 0.79 | CYP2D6 (0.48) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 | |
| SCHEMBL11592606 | 0.77 | CYP2D6 (0.63) | CYP2D6CYP2C9TSHRCYP1A2CYP2C19 |
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-4073942-A | Halo-substituted hydroxybenzyl-amines as secretolytic agents | BOEHRINGER INGELHEIM GMBH (DT) | 1978-02-14 | — | — | US | disclosed |