Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL16383671 | 0.73 | TRPA1 (0.49) | KMT2ATRPA1ALDH1A1ATMSMN1; SMN2 | |
| SCHEMBL1963320 | 0.72 | ALOX15 (0.46) | KMT2ABRD4ALDH1A1ATMSMN1; SMN2 | |
| SCHEMBL19354867 | 0.71 | TRPA1 (0.48) | KMT2ATRPA1ALDH1A1ATMSMN1; SMN2 | |
| SCHEMBL22039158 | 0.68 | NR3C2 (0.45) | KMT2AALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL17437902 | 0.67 | F2 (0.46) | KMT2ABRD4ALDH1A1ATMSMN1; SMN2 | |
| SCHEMBL30040346 | 0.66 | HTR1A (0.50) | KMT2AALDH1A1ATMSMN1; SMN2NPSR1 | |
| SCHEMBL904780 | 0.66 | CYP11B1 (0.47) | KMT2AALDH1A1ATMSMN1; SMN2NPSR1 | |
| SCHEMBL9644030 | 0.64 | CA1 (0.55) | KMT2ATRPA1ALDH1A1ATMSMN1; SMN2 | |
| SCHEMBL22672759 | 0.64 | ALDH1A1 (0.47) | KMT2ABRD4ALDH1A1ATMSMN1; SMN2 | |
| SCHEMBL28062182 | 0.64 | TRPA1 (0.54) | KMT2ATRPA1ALDH1A1ATMSMN1; SMN2 |
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-2009151991-A1 | PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH | MERCK & CO., INC. (US) | 2009-12-17 | — | — | WO | disclosed |