Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL10404630 | 0.84 | TP53 (0.39) | CYP2D6 | |
| SCHEMBL28545922 | 0.65 | SMN1; SMN2 (0.38) | CYP2C19SMN1; SMN2NPC1RAB9A | |
| SCHEMBL14107333 | 0.65 | DDB1 (0.42) | CYP2C19CYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL14100698 | 0.65 | DDB1 (0.42) | CYP2C19CYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL8251750 | 0.64 | MEN1 (0.61) | CYP2C19CYP2C9SMN1; SMN2NPC1RAB9A | |
| SCHEMBL31491210 | 0.64 | ALDH1A1 (0.47) | CYP2C19CYP2D6CYP2C9SMN1; SMN2 | |
| SCHEMBL30843298 | 0.64 | DDB1 (0.47) | CYP2C19SMN1; SMN2SIGMAR1 | |
| SCHEMBL6627044 | 0.64 | SMN1; SMN2 (0.50) | CYP2C19CYP3A4CYP2C9SMN1; SMN2NPC1 | |
| SCHEMBL4367165 | 0.64 | SMN1; SMN2 (0.60) | CYP2C19CYP3A4CYP2D6CYP2C9SMN1; SMN2 | |
| SCHEMBL18889353 | 0.64 | SMN1; SMN2 (0.49) | CYP2C19CYP3A4CYP2C9SMN1; SMN2NPC1 |
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-4971993-A | HYPOTENSIVE DIPEPTIDES DERIVATIVES | AJINOMOTO CO., INC. (JP) | 1990-11-20 | — | — | US | disclosed |
| EP-0190852-A2 | Dipeptide derivatives and antihypertensive drugs containing them | AJINOMOTO CO., INC. (JP) | 1986-08-13 | — | — | EP | disclosed |