Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 8/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 8/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7399530 | 0.89 | MTNR1A (0.40) | MTNR1AMTNR1BNQO2BCHEKDM4E | |
| SCHEMBL7392587 | 0.85 | CXCR2 (0.48) | MTNR1AMTNR1BNQO2BCHEKDM4E | |
| SCHEMBL7400375 | 0.80 | MCL1 (0.39) | MTNR1AMTNR1BNQO2ACACBBCHE | |
| SCHEMBL6575604 | 0.78 | MTNR1A (0.47) | MTNR1AMTNR1BNQO2BCHE | |
| Hydrochloric Acid SCHEMBL7403059 | 0.77 | CA1 (0.39) | MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7399637 | 0.76 | CXCR2 (0.41) | BCHEKDM4EALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL7307246 | 0.76 | FAAH (0.56) | MTNR1AMTNR1BNQO2KDM4EALDH1A1 | |
| SCHEMBL7319285 | 0.74 | HTR6 (0.52) | NQO2 | |
| SCHEMBL7170336 | 0.73 | NQO2 (0.47) | MTNR1AMTNR1BNQO2 | |
| SCHEMBL6579596 | 0.71 | MTNR1A (0.47) | MTNR1AMTNR1BNQO2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001034146-A1 | NOVEL ANTI-INFECTIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-17 | — | — | WO | disclosed |