Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 7/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTR1D | P28221 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.36 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL878243 | 0.88 | LMNA (0.45) | HPGDALDH1A1HTTLMNAKDM4E | |
| SCHEMBL4573844 | 0.80 | KMT2A (0.45) | MRGPRX4ALDH1A1HTR1DHTTNPSR1 | |
| SCHEMBL15624131 | 0.77 | AKR1C3 (0.48) | ALDH1A1LMNAKDM4ETSHRCYP1A2 | |
| SCHEMBL8676264 | 0.77 | KMT2A (0.57) | MRGPRX4ALDH1A1HTR1DHTTNPSR1 | |
| SCHEMBL8675342 | 0.76 | POLM (0.54) | ALDH1A1HTR1DKDM4EKMT2AGAA | |
| SCHEMBL6404381 | 0.76 | OGG1 (0.38) | ALDH1A1HTTNPSR1LMNAKDM4E | |
| SCHEMBL28521500 | 0.76 | ALDH1A1 (0.49) | HPGDALDH1A1KDM4ECYP1A2CYP2C19 | |
| SCHEMBL10512895 | 0.76 | CYP3A4 (0.42) | MRGPRX4HPGDALDH1A1HTR1DHTT | |
| SCHEMBL9066722 | 0.76 | THRB (0.47) | MRGPRX4HPGDALDH1A1HTR1DHTT | |
| SCHEMBL1261928 | 0.76 | HTR1D (0.46) | MRGPRX4ALDH1A1HTR1DHTTNPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1077942-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | Aventis Pharmaceuticals Inc. (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999059972-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 1999-11-25 | — | — | WO | disclosed |
| WO-1995016682-A1 | CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS | ZENECA LIMITED (GB) | 1995-06-22 | — | — | WO | disclosed |