Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 7/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL8910533 | 0.81 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP3A4PRMT1LMNA | |
| SCHEMBL5193497 | 0.79 | CYP3A4 (0.61) | CYP1A2CYP2D6CYP3A4PRMT1IDO1 | |
| SCHEMBL10589035 | 0.76 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP3A4PRMT1LMNA | |
| SCHEMBL6431176 | 0.75 | CYP3A4 (0.59) | CYP1A2CYP2D6CYP3A4PRMT1IDO1 | |
| SCHEMBL7270335 | 0.73 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP3A4PRMT1IDO1 | |
| SCHEMBL7270339 | 0.73 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP3A4PRMT1IDO1 | |
| SCHEMBL1654642 | 0.72 | CYP1A2 (1.00) | CYP1A2CYP2D6CYP3A4PRMT1LMNA | |
| SCHEMBL9305620 | 0.72 | LMNA (0.53) | CYP1A2CYP2D6LMNAPKMSMN1; SMN2 | |
| SCHEMBL4590400 | 0.71 | MAPT (0.50) | CYP1A2CYP2D6LMNAPKMSMN1; SMN2 | |
| SCHEMBL9800592 | 0.71 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP3A4PRMT1LMNA |
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-5688946-A | DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS | HOFFMANN LA ROCHE INC. (US) | 1997-11-18 | — | — | US | disclosed |