Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9035298 | 0.90 | TACR1 (0.45) | TACR1SLC6A2HTR2BKIF11 | |
| SCHEMBL9036122 | 0.88 | TACR1 (0.72) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9036118 | 0.88 | TACR1 (0.72) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9036151 | 0.86 | TACR1 (0.49) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9036156 | 0.86 | TACR1 (0.49) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9035451 | 0.82 | TACR1 (0.79) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9084405 | 0.82 | TACR1 (0.79) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8555818 | 0.82 | TACR1 (0.79) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9053585 | 0.81 | TACR1 (0.56) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9085413 | 0.80 | TACR1 (0.57) | TACR1TP53CYP1A2CYP3A4CYP2D6 |
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-5691336-A | ANTIINFLAMMATORY AGENTS; ANALGESICS; THERAPY OF ASTHMA, EMESIS | MERCK & CO., INC. (US) | 1997-11-25 | — | — | US | disclosed |