Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | PTGES | O14684 | 1/20 | 0.42 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3063543 | 0.82 | NPC1 (0.54) | ALDH1A1HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20708522 | 0.79 | NPC1 (0.54) | ALDH1A1HPGDNPC1HTTRAB9A | |
| SCHEMBL2488055 | 0.78 | CYP3A4 (0.50) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30874472 | 0.78 | MKNK1 (0.58) | ALDH1A1HPGDNPC1HTTRAB9A | |
| SCHEMBL5914424 | 0.78 | KDM4C (0.49) | ALDH1A1HPGDNPC1HTTRAB9A | |
| SCHEMBL3058557 | 0.77 | NPC1 (0.41) | ALDH1A1NPC1RAB9AKDRPTGES | |
| SCHEMBL20708511 | 0.77 | PTGES (0.55) | ALDH1A1HPGDNPC1HTTRAB9A | |
| SCHEMBL5240824 | 0.77 | NPC1 (0.41) | ALDH1A1NPC1RAB9ACYP2D6KDR | |
| SCHEMBL2313325 | 0.76 | KEAP1 (0.39) | ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL10869538 | 0.75 | SLC2A1 (0.44) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2 |
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-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |