Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 7/20 | 0.68 |
| ▸ | MMP1 | P03956 | 1/20 | 0.60 |
| ▸ | MMP3 | P08254 | 1/20 | 0.60 |
| ▸ | MMP7 | P09237 | 1/20 | 0.60 |
| ▸ | BCHE | P06276 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10702051 | 0.86 | AAK1 (0.57) | AAK1MMP1MMP3MMP7KMT2A | |
| SCHEMBL24143407 | 0.85 | CYP1A2 (0.67) | AAK1BCHECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL26304208 | 0.85 | SCN10A (0.52) | AAK1MMP1MMP3MMP7BCHE | |
| SCHEMBL19328214 | 0.85 | AAK1 (0.64) | AAK1MMP1MMP3MMP7 | |
| SCHEMBL19328213 | 0.85 | AAK1 (0.64) | AAK1MMP1MMP3MMP7 | |
| SCHEMBL17515967 | 0.85 | AAK1 (0.72) | AAK1MMP1MMP3MMP7 | |
| SCHEMBL6304376 | 0.84 | TSHR (0.59) | AAK1BCHECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8330091 | 0.84 | TSHR (0.59) | AAK1BCHECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29095821 | 0.83 | PPARA (0.56) | AAK1BCHECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL24485487 | 0.83 | PPARA (0.56) | AAK1BCHECYP3A4CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0222283-B1 | AMINO-ACID DERIVATIVES | MERCK PATENT GmbH (DE) | 1992-12-30 | — | — | EP | disclosed |
| US-4721776-A | Amino acid derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-01-26 | — | — | US | disclosed |
| EP-0222283-A2 | Amino-acid derivatives | MERCK PATENT GmbH (DE) | 1987-05-20 | — | — | EP | disclosed |