Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 9/20 | 0.45 |
| ▸ | MGAM | O43451 | 8/20 | 0.45 |
| ▸ | AMY1A | P0DUB6 | 8/20 | 0.45 |
| ▸ | SI | P14410 | 8/20 | 0.45 |
| ▸ | MGAM2 | Q2M2H8 | 8/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | F2 | P00734 | 2/20 | 0.42 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | F12 | P00748 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2298377 | 0.82 | SLC9A1 (0.53) | DGAT1GAAMGAMAMY1ASI | |
| SCHEMBL1520814 | 0.81 | DGAT1 (0.72) | DGAT1GAAMGAMAMY1ASI | |
| Hydrochloric Acid SCHEMBL2681010 | 0.79 | DGAT1 (0.70) | DGAT1GAAMGAMAMY1ASI | |
| Guanidine SCHEMBL811269 | 0.76 | MYC (0.46) | GAAKMT2AF2ALDH1A1TSHR | |
| SCHEMBL7557183 | 0.72 | KCNMA1 (0.65) | GAAMGAMAMY1ASIMGAM2 | |
| SCHEMBL2583961 | 0.71 | SLC9A1 (0.54) | DGAT1GAAMGAMAMY1ASI | |
| Hydroxyamine SCHEMBL8185329 | 0.71 | MYC (0.50) | GAAKMT2AALDH1A1TSHRKDM4E | |
| Hydrazine SCHEMBL27884457 | 0.71 | MYC (0.50) | GAAKMT2AALDH1A1TSHRKDM4E | |
| SCHEMBL29392580 | 0.71 | MYC (0.53) | GAAKMT2AALDH1A1TSHRKDM4E | |
| SCHEMBL1748 | 0.71 | MYC (0.53) | GAAKMT2AALDH1A1TSHRKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1131295-A1 | QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | Smithkline Beecham S.p.A. (IT) | 2001-09-12 | — | — | EP | disclosed |
| WO-2000031037-A1 | QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM S.P.A. (IT) | 2000-06-02 | — | — | WO | disclosed |