Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.42 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.42 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | PRNP | P04156 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.35 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 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 | |
|---|---|---|---|---|
| SCHEMBL11620981 | 0.78 | DCUN1D1 (0.44) | ALDH1A1TSHRDCUN1D1NOTUMGAA | |
| SCHEMBL1335198 | 0.75 | PTGS2 (0.45) | ALDH1A1GAAIDO1KDM4EMAPK10 | |
| SCHEMBL20247769 | 0.74 | ADORA2A (0.44) | ALDH1A1DCUN1D1NOTUMGAAIDO1 | |
| SCHEMBL1335295 | 0.72 | RAB9A (0.44) | ALDH1A1DCUN1D1NOTUMGAAMETAP2 | |
| SCHEMBL31626472 | 0.72 | ALDH1A1 (0.45) | ALDH1A1TSHRTRIM24TRIM33PKM | |
| SCHEMBL5502081 | 0.71 | ALDH1A1 (0.52) | ALDH1A1TSHRTRIM24TRIM33GAA | |
| SCHEMBL15182871 | 0.71 | DCUN1D1 (0.39) | ALDH1A1TSHRDCUN1D1NOTUMGAA | |
| SCHEMBL31484888 | 0.71 | IDO1 (0.39) | ALDH1A1TSHRDCUN1D1NOTUMGAA | |
| SCHEMBL28220671 | 0.71 | NOTUM (0.41) | ALDH1A1TSHRNOTUMIDO1METAP2 | |
| SCHEMBL10416375 | 0.70 | ALDH1A1 (0.50) | ALDH1A1TSHRTRIM24TRIM33NOTUM |
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-1490340-A1 | HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN | MERCK SHARP & DOHME LTD. (GB) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003080578-A1 | HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2003-10-02 | — | — | WO | disclosed |