Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 7/20 | 0.70 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | NOS1 | P29475 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | DRD1 | P21728 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2913614 | 0.86 | CYP3A4 (0.58) | ACHECYP3A4LMNANOS1PARP1 | |
| SCHEMBL1561685 | 0.85 | CYP3A4 (0.56) | ACHECYP3A4LMNAPARP1MTNR1A | |
| SCHEMBL21225979 | 0.85 | ALOX5 (0.57) | ACHECYP3A4LMNAPARP1MTNR1A | |
| SCHEMBL715536 | 0.85 | CYP3A4 (0.56) | ACHECYP3A4LMNAPARP1 | |
| Hydrochloric Acid SCHEMBL2903507 | 0.85 | CYP3A4 (0.56) | ACHECYP3A4LMNANOS1PARP1 | |
| SCHEMBL715236 | 0.83 | LMNA (0.54) | ACHECYP3A4LMNAPARP1MTNR1A | |
| SCHEMBL13314605 | 0.83 | ALDH1A1 (0.55) | ACHECYP3A4LMNAPARP1MTNR1A | |
| SCHEMBL7613234 | 0.83 | CYP3A4 (0.54) | ACHECYP3A4LMNAPARP1MTNR1A | |
| SCHEMBL1790266 | 0.82 | PPARA (0.57) | ACHECYP3A4LMNAMTNR1AMTNR1B | |
| SCHEMBL4268403 | 0.82 | CYP3A4 (0.53) | ACHECYP3A4LMNAPARP1MTNR1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1045780-A | The preparation of new sulfonamide derivatives | BOEHRINGER MANNHEIM GMBH (DE) | 1990-10-03 | — | — | CN | disclosed |