Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 6/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.44 |
| ▸ | MC4R | P32245 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11623815 | 1.00 | TACR1 (0.59) | TACR1SMN1; SMN2SIGMAR1POLBALDH1A1 | |
| SCHEMBL20523462 | 0.77 | TACR1 (0.50) | TACR1SMN1; SMN2SIGMAR1ALDH1A1CYP1A2 | |
| SCHEMBL7227119 | 0.76 | TACR1 (0.76) | TACR1SIGMAR1MC4RGRIN1GRIN2B | |
| SCHEMBL5870998 | 0.76 | TACR1 (0.59) | TACR1SIGMAR1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL24036210 | 0.75 | TACR1 (0.62) | TACR1SIGMAR1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL16836134 | 0.75 | SIGMAR1 (0.64) | TACR1SIGMAR1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL27793229 | 0.75 | TACR1 (0.62) | TACR1SIGMAR1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL731081 | 0.75 | TACR1 (0.62) | TACR1SIGMAR1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6943959 | 0.75 | TACR1 (0.62) | TACR1SIGMAR1POLBALDH1A1CYP1A2 | |
| SCHEMBL467266 | 0.75 | TACR1 (0.62) | TACR1SIGMAR1POLBALDH1A1CYP1A2 |
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-4124712-A | Ergot peptide alkaloid derivatives | SANDOZ LTD. (CH) | 1978-11-07 | — | — | US | disclosed |