Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | PHGDH | O43175 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 5/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22667955 | 0.88 | PHGDH (0.33) | PHGDHLMNATRPV1NPY5RTGFBR1 | |
| SCHEMBL19187344 | 0.87 | TRPV1 (0.35) | KDRMAPTTRPV1NPY5RALDH1A1 | |
| SCHEMBL15218540 | 0.81 | ALDH1A1 (0.46) | KDRLMNAL3MBTL1NPY5RALDH1A1 | |
| SCHEMBL22667958 | 0.80 | KDR (0.37) | KDRPHGDHTDP1LMNAMAPT | |
| SCHEMBL22667905 | 0.76 | MALT1 (0.34) | TRPV1NPY5RNTRK1MALT1 | |
| SCHEMBL19187505 | 0.74 | DAO (0.36) | MAPTTRPV1HTTALDH1A1SMN1; SMN2 | |
| SCHEMBL15218570 | 0.71 | CA12 (0.50) | PHGDHTDP1LMNAMAPTHTT | |
| SCHEMBL15209879 | 0.69 | CYP1A2 (0.47) | PHGDHLMNAMAPTHTTNPY5R | |
| SCHEMBL15218533 | 0.69 | IDO1 (0.39) | KDRTRPV1NPY5RMALT1 | |
| SCHEMBL15218534 | 0.69 | POLB (0.48) | LMNANPY5RALDH1A1SMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2820006-B1 | PYRAZOL-1-YL BENZENE SULFONAMIDES AS CCR9 ANTAGONISTS | CHEMOCENTRYX INC (US) | 2017-08-02 | — | — | EP | disclosed |