Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 11/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 11/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | HPN | P05981 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7400195 | 0.82 | PPARG (0.39) | MTNR1AMTNR1BCYP1A2CYP3A4HPGD | |
| SCHEMBL7312113 | 0.77 | MTNR1A (0.46) | MTNR1AMTNR1BMEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL7399520 | 0.75 | F2 (0.39) | MTNR1AMTNR1BCYP1A2CYP3A4HPGD | |
| SCHEMBL25946487 | 0.72 | MTNR1A (0.41) | MTNR1AMTNR1BCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL7400375 | 0.72 | MCL1 (0.39) | MTNR1AMTNR1BCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL320558 | 0.72 | NQO2 (0.50) | NQO2KDM4E | |
| Hydrochloric Acid SCHEMBL7403275 | 0.72 | BACE1 (0.46) | CYP1A2CYP3A4CYP2C19TDP1MEN1 | |
| SCHEMBL24300007 | 0.70 | BRD4 (0.56) | CYP1A2CYP3A4CYP2C9NQO2 | |
| SCHEMBL8191104 | 0.70 | PPARG (0.51) | PPARG | |
| SCHEMBL30864386 | 0.70 | MTNR1A (0.54) | MTNR1AMTNR1BCYP1A2CYP3A4HPGD |
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 |