Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 4/20 | 0.49 |
| ▸ | PDE5A | O76074 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.45 |
| ▸ | ACACB | O00763 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1466583 | 0.79 | KDR (0.60) | KDRPDE5ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7996592 | 0.79 | KDR (0.45) | KDRPDE5AACACBALDH1A1SMN1; SMN2 | |
| SCHEMBL7119744 | 0.73 | KDR (0.62) | KDRCYP1A2CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL7785903 | 0.70 | HSD17B10 (0.39) | CYP1A2CYP3A4HSD17B10ALOX15TSHR | |
| SCHEMBL1465529 | 0.69 | KDR (0.46) | KDRPDE5AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL429092 | 0.69 | KDR (0.78) | KDRFLT1 | |
| SCHEMBL6542710 | 0.67 | KDR (0.62) | KDRALDH1A1 | |
| SCHEMBL4634558 | 0.65 | KDM4E (0.51) | HSD17B10ALDH1A1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL4718323 | 0.65 | MMP13 (0.52) | CYP3A4HSD17B10MAPK1SMN1; SMN2POLB | |
| SCHEMBL6648327 | 0.65 | P2RX7 (0.41) | KDRCYP1A2CYP3A4CYP2D6HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001085715-A2 | AZA- AND POLYAZANTHRANYL AMIDES AND THEIR USE AS MEDICAMENTS | NOVARTIS AG (CH) | 2001-11-15 | — | — | WO | claimed |
| WO-2001085715-A2 | AZA- AND POLYAZANTHRANYL AMIDES AND THEIR USE AS MEDICAMENTS | NOVARTIS AG (CH) | 2001-11-15 | — | — | WO | disclosed |