Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | DRD4 | P21917 | 1/20 | 0.55 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.55 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.53 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.52 |
| ▸ | HTR3B | O95264 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | HTR3A | P46098 | 1/20 | 0.52 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.52 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL995119 | 0.86 | POLB (0.66) | KMT2AMEN1EPHX1MCHR1ALDH1A1 | |
| SCHEMBL27900169 | 0.85 | KMT2A (0.65) | KMT2AMEN1TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL27785151 | 0.84 | TAS1R3 (0.54) | KMT2AMEN1DRD4MCHR1TSHR | |
| SCHEMBL28975690 | 0.84 | MEN1 (0.64) | CHRNA7KMT2AMEN1EPHX1MCHR1 | |
| SCHEMBL4910900 | 0.83 | CNR1 (0.54) | CHRNA7KMT2AMEN1DRD2DRD4 | |
| SCHEMBL17559449 | 0.82 | KMT2A (0.54) | KMT2AMEN1EPHX1TSHRALDH1A1 | |
| SCHEMBL31264267 | 0.82 | KMT2A (0.53) | KMT2AMEN1EPHX1ALDH1A1KDM4E | |
| SCHEMBL19541409 | 0.81 | KMT2A (0.52) | CHRNA7KMT2AMEN1DRD2DRD4 | |
| SCHEMBL16828014 | 0.81 | ALDH1A1 (0.78) | KMT2AMEN1ALOX15TSHRALDH1A1 | |
| SCHEMBL23573586 | 0.81 | RAB9A (0.60) | CHRNA7KMT2AMEN1DRD2DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102762542-B | Novel antifungal triazole derivatives | DAE WOONG PHARMA | 2015-07-22 | — | — | CN | disclosed |
| CN-102762542-A | Novel antifungal triazole derivatives | DAE WOONG PHARMA | 2012-10-31 | — | — | CN | disclosed |