Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | RGS12 | O14924 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20148931 | 0.83 | SIGMAR1 (0.55) | SIGMAR1CYP3A4KDM4EMAPTPOLB | |
| Hydrochloric Acid SCHEMBL11133532 | 0.81 | SIGMAR1 (0.53) | SIGMAR1CYP3A4KDM4EMAPTPOLB | |
| SCHEMBL31049620 | 0.80 | SIGMAR1 (0.52) | SIGMAR1MAPTPOLBSMN1; SMN2ALDH1A1 | |
| SCHEMBL15818086 | 0.80 | SIGMAR1 (0.52) | SIGMAR1MAPTPOLBSMN1; SMN2ALDH1A1 | |
| SCHEMBL13813305 | 0.76 | SIGMAR1 (0.55) | SIGMAR1CYP3A4KDM4EMAPTPOLB | |
| SCHEMBL15336915 | 0.76 | SIGMAR1 (0.55) | SIGMAR1CYP3A4KDM4EMAPTPOLB | |
| SCHEMBL14748112 | 0.76 | SIGMAR1 (0.55) | SIGMAR1CYP3A4KDM4EMAPTPOLB | |
| SCHEMBL27494165 | 0.75 | SIGMAR1 (0.46) | SIGMAR1CYP3A4KDM4EMAPTPOLB | |
| SCHEMBL172633 | 0.75 | SIGMAR1 (0.70) | SIGMAR1TAAR1SLC18A2CYP3A4KDM4E | |
| SCHEMBL13675825 | 0.75 | SIGMAR1 (0.70) | SIGMAR1TAAR1SLC18A2CYP3A4KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1255738-B1 | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES INC (US) | 2012-03-07 | — | — | EP | disclosed |