Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1826440 | 0.86 | CYP1A2 (0.51) | CYP1A2ALDH1A1CYP2C19CA12CA1 | |
| SCHEMBL25610981 | 0.83 | CYP1A2 (0.49) | CYP1A2ALDH1A1CYP2C19CA12CA1 | |
| SCHEMBL19951056 | 0.80 | ALDH1A1 (0.46) | CYP1A2ALDH1A1CYP2C19CA12CA1 | |
| SCHEMBL12414711 | 0.77 | CA12 (0.56) | CYP1A2ALDH1A1CYP2C19CA12CA1 | |
| SCHEMBL172462 | 0.76 | ALDH1A1 (0.47) | CYP1A2ALDH1A1CYP2C19CA12CA1 | |
| SCHEMBL12530835 | 0.76 | HRH1 (0.50) | CYP1A2ALDH1A1CYP2C19CA12CA1 | |
| SCHEMBL2608874 | 0.76 | ALDH1A1 (0.53) | CYP1A2ALDH1A1CYP2C19CA12CA1 | |
| SCHEMBL30201139 | 0.76 | CYP1A2 (0.61) | CYP1A2ALDH1A1CYP2C19CA12CA1 | |
| Metyridine SCHEMBL30481621 | 0.76 | HRH1 (0.55) | CYP1A2ALDH1A1CYP2C19CA12CA1 | |
| SCHEMBL574013 | 0.76 | CYP1A2 (0.61) | CYP1A2ALDH1A1CYP2C19CA12CA1 |
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-5659065-A | CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS | NOVARTIS CORPORATION (US) | 1997-08-19 | — | — | US | disclosed |
| EP-0678500-A1 | Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors | CIBA-GEIGY AG (CH) | 1995-10-25 | — | — | EP | disclosed |