Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.62 |
| ▸ | ACHE | P22303 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL16462127 | 0.84 | ALDH1A1 (0.73) | ALDH1A1CYP2D6CYP19A1ACHESMN1; SMN2 | |
| SCHEMBL5752267 | 0.83 | OPRD1 (0.59) | ALDH1A1ACHESMN1; SMN2OPRD1OPRL1 | |
| SCHEMBL11611128 | 0.81 | ALDH1A1 (0.68) | ALDH1A1ACHESMN1; SMN2OPRD1HTR3E | |
| SCHEMBL9852931 | 0.80 | SLC6A4 (0.46) | ALDH1A1ACHESMN1; SMN2OPRD1OPRL1 | |
| SCHEMBL1019672 | 0.80 | ALDH1A1 (1.00) | ALDH1A1ACHESMN1; SMN2RPS6KB1OPRL1 | |
| SCHEMBL11612810 | 0.78 | OPRD1 (0.54) | ALDH1A1CYP2D6ACHEOPRD1OPRM1 | |
| SCHEMBL1137956 | 0.77 | CYP2D6 (1.00) | ALDH1A1CYP2D6CYP19A1SMN1; SMN2OPRD1 | |
| SCHEMBL255342 | 0.74 | CYP2D6 (0.68) | CYP2D6CYP19A1OPRD1HTR3EHTR3B | |
| SCHEMBL11609280 | 0.73 | ACHE (0.77) | ALDH1A1CYP2D6ACHESMN1; SMN2MEN1 | |
| Hydrochloric Acid SCHEMBL11615800 | 0.72 | ACHE (0.75) | ALDH1A1CYP2D6ACHESMN1; SMN2HTR3A |
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-4068070-A | ANGINA PECTORIS | FUJI CHEMICAL INDUSTRY CO., LTD. (JA) | 1978-01-10 | — | — | US | disclosed |
| US-3962247-A | ANGINA PECTORIS | FUJI CHEMICAL INDUSTRY CO., LTD. (JA) | 1976-06-08 | — | — | US | disclosed |