Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CXCR5 | P32302 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | LDHA | P00338 | 1/20 | 0.31 |
| ▸ | LDHB | P07195 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15050026 | 0.84 | NOS2 (0.48) | NOS2TSHRCXCR5ALDH1A1KDM4E | |
| SCHEMBL10781528 | 0.82 | NOS3 (0.38) | NOS2TSHRALDH1A1CYP1A2CYP2A6 | |
| Ammonia Solution, Strong SCHEMBL14719473 | 0.81 | NOS2 (0.47) | NOS2TSHRCXCR5ALDH1A1KDM4E | |
| SCHEMBL301088 | 0.80 | ALDH1A1 (0.36) | NOS2TSHRALDH1A1KDM4EGAA | |
| Hydrochloric Acid SCHEMBL28711794 | 0.79 | NOS2 (0.45) | NOS2TSHRCXCR5ALDH1A1KDM4E | |
| SCHEMBL172572 | 0.77 | TAAR1 (0.38) | ALDH1A1KDM4EGAAHPGDTAAR1 | |
| SCHEMBL9839949 | 0.76 | NOS2 (0.42) | NOS2TSHRCXCR5ALDH1A1KDM4E | |
| SCHEMBL1263570 | 0.76 | NOS2 (0.42) | NOS2TSHRCXCR5ALDH1A1KDM4E | |
| SCHEMBL25483085 | 0.75 | NR3C1 (0.31) | — | |
| SCHEMBL18568047 | 0.74 | TAAR1 (0.45) | NOS2TSHRALDH1A1KDM4ETAAR1 |
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 |