Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 8/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ICMT | O60725 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7346938 | 0.86 | TSHR (0.42) | ALDH1A1TSHRHSD17B10CYP1A2CYP2D6 | |
| SCHEMBL15856957 | 0.80 | CHRM2 (0.44) | BCHEALDH1A1 | |
| SCHEMBL24713493 | 0.79 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP2D6CYP2C19MAPT | |
| SCHEMBL3665712 | 0.79 | SLC6A4 (0.44) | ALDH1A1TSHRHSD17B10CYP2D6CYP2C19 | |
| SCHEMBL15856991 | 0.78 | CHRM2 (0.47) | BCHE | |
| SCHEMBL11795231 | 0.78 | HTR1A (0.53) | HTR1ABCHEALDH1A1HRH3TSHR | |
| Bromide SCHEMBL7881740 | 0.77 | SLC6A4 (0.43) | ALDH1A1TSHRHSD17B10CYP2D6CYP2C19 | |
| Iodide SCHEMBL29883634 | 0.77 | SLC6A4 (0.43) | ALDH1A1TSHRHSD17B10CYP2D6CYP2C19 | |
| SCHEMBL30958560 | 0.77 | CYP3A4 (0.42) | HTR1AALDH1A1LMNACYP3A4TDP1 | |
| SCHEMBL1727172 | 0.76 | CYP3A4 (0.46) | MAPTLMNACYP3A4TDP1 |
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-4892885-A | CARDIOTONICS, DIURETICS | AMERICAN CYANAMID COMPANY | 1990-01-09 | — | — | US | disclosed |